Federico TOTTI

Ruolo attuale:: Professori Associati
Afferenza organizzativa:: Chimica 'Ugo Schiff'
SSD:: CHIM/03 - Chimica generale ed inorganica

Contatti

	Chimica 'Ugo Schiff' Via della Lastruccia, 3-13 50019 SESTO FIORENTINO
	055 4573271
	federico.totti(AT)unifi.it

Altri Contatti

http://www.unifi.it/LAMM/STAFF/ita_federico_totti.html

Federico TOTTI

Orario di ricevimento (aggiornato al 05/03/2010) Previo appuntamento

Federico TOTTI

Biografia

Federico Totti nato a Firenze il 5/5/1971

Corso di Studi
10/1990 - 7/1995	Corso di Laurea in Chimica Università di Firenze, Facoltà di Scienze M.F. e N. Esame di Laurea su “Caratterizzazione e Reattività di Composti Organomercuriali con Metodi Quantomeccanici" Relatore: Prof. A. Bencini; Correlatore Prof. R. Righini
5/1996 - 10/1996	Borsa di Studio assegnata dal Consorzio I.N.C.M. Tema di ricerca: “Indagini Teoriche su Interazioni Magnetiche”
3/2000	Borsa di Studio Ministeriale di Dottorato in “Scienza e Tecnologia dei Materiali” nel Novembre 1996 e conseguito il titolo di Dottore di Ricerca il 24 Marzo 2000 presentando una dissertazione finale dal titolo: "DFT Modeling of Magnetic Interactions in Molecular Materials"
7/2000 - 6/2002	Assegno di Ricerca Biennale presso la Facoltà di Chimica per l'“Interpretazione delle Proprietà Magnetiche di Materiali Molecolari e Solidi Periodici con la Teoria del Funzionale della Densità Eletronica”
7/2002 - 6/2004	Assegno di Ricerca Biennale presso la Facoltà di Chimica per lo “Sviluppo e applicazioni di metodi quantomeccanici per l'interpretazione delle proprietà magnetiche di Materiali Molecolari”
7/2004 - 4/2005	Borsa di Studio per il Network Europeo QuEMolNa (Quantum Effects in Molecular Nanomagnets)
5/2005 - 8/2006	Contratto di Ricerca FIRB per lo studio di Composti molecolari e materiali ibridi nanostrutturati con proprietà ottiche risonanti e non risonanti per dispositivi fotonici

Federico TOTTI

Curriculum

Carriera Accademica
09/2006 - 09/17	Ricercatore a Tempo Indeterminato CHIM/03 (confermato nel 2010) presso il Dip. di Chimica dell'Università degli Studi di Firenze
10/2009 - 09/17	Professore Aggregato CHIM/03 presso il Dip. di Chimica dell'Università degli Studi di Firenze per la Scuola di Scienze Matematiche, Fisiche e Naturali
10/2017 - oggi	Professore Associato CHIM/03 presso il Dip. di Chimica dell'Università degli Studi di Firenze per la Scuola di Scienze Matematiche, Fisiche e Naturali
2012 2017	Abilitato come Professore associato (ASN 2012) 03/A2 - Modelli e Metodologie per le Scienze Chimiche 03/B1 - Fondamenti delle scienze chimiche e sistemi inorganici 03/B2 – Fondamenti Chimici delle Tecnologie Abilitato come Professore ordinario (ASN 2016) 03/B2 - Fondamenti Chimici delle Tecnologie 03/B1 - Fondamenti delle scienze chimiche e sistemi inorganici
	Soggiorni all’estero come Visiting Researcher: Nel 2007 è stato invitato per un periodo di quindici giorni al Dip. di Fisica dell’Università A. Mickiewicz, Poznan (Polonia) Nel 2015 è stato invitato per un periodo di quindici giorni al Dip. di Chimica dell’Universidade Federal Fluminense”, Niteroi (Brasile)
VQR 2004-2010 Giudizio: Eccellente VQR 2011-2014 Giudizio: Eccellente

Ruoli Istituzionali
2010 - 2013	Membro della Giunta del Dipartimento di Chimica “U. Schiff”
2010 - 2014 2016 - oggi	Membro del Collegio Docenti del Dottorato in “Scienze Chimiche” presso l'Università degli Studi di Firenze
2015 - oggi	Referente per il Dipartimento di Chimica “U. Schiff” della sottounità del nodo SMART afferente al CECAM (Centre Européen de Calcul Atomique et Moléculaire)

Attività di Ricerca

1995 - oggi

Co-autore di 78 pubblicazioni (di cui 1 sottomessa) a riviste internazionali e 2 contributi a congressi nei 24 anni di attività

Autore dipiù di 130 comunicazioni a congressi e meeting nazionali/internazionali delle quali:

- 19 orali (11 a invito) ed 1 scritta a invito (vedi lista allegata, p.16)

- Co-autore di 11 orali nel solo periodo 2014-16 (vedi lista allegata, p. 17)

- 7 seminari a invito in strutture nazionali ed europee (vedi lista allegata, p.18)

In dettaglio:

- Pubblicazioni come Corresponding Author: 22

- h-index: 25 (Scopus), 27 (Google Scholar)

-Citazioni totali: 2510 (Scopus), 2728 (Google Scholar)

- IF medio sulle pubblicazioni (77) (1995-2017): 6.7*

Attività Progettuale

FT ha partecipato come partecipante e come responsabile scientifico a progetti di carattere nazionale ed europeo. A livello nazionale, figura come responsabile scientifco in 5 progetti ISCRA (1 di tipo A e 1 di tipo B) e in 1 FIRB-Futuro in Ricerca (valutazione positiva ma non finanziato). Ha partecipato a 7 PRIN, 2 FIRB, 1 CNR-PROMO e 1 POR della Regione Toscana (vedi lista allegata, p. 19)

A livello europeo, FT figura come responsabile scientifco in 1 progetto PRACE (tier-0) e in 1 progetto DECI (tier-1). Ha partecipato all’interno del VII Programma Quadro Europeo (FP7) a “MolSpinQIP” e all’ERC “Molnanomas”; all’interno del FP5-6 ha partecipato al Marie Curie Training Network “QUEMOLNA” e al network di eccellenza “MAGMANet”. (vedi lista allegata, p.19)

Per quanto riguarda la strumentazione di ricerca, FT ha avuto dal 2009 un regolare accesso alle infrastrutture HPC (High Performance Computing) sia a livello nazionale che europeo attraverso il finanziamento di progetti di ricerca di alto impatto a livello nazionale ed europeo approvati attraverso procedure di revisione tra pari (vedi sopra progetti ISCRA, DECI e PRACE).

FT ha, inoltre, accesso esclusivo anche alle risorse HPC locali che consistono in due cluster Linux-Infiniband (80 core su 11 nodi [2002], 548 core su 24 nodi [2012]) di cui ha in gestione diretta la configurazione hardware e software. In particolare, il primo cluster è stato progettato, assemblato e gestito da F. Totti e A. Bencini (quest'ultimo fino al 2008).

Attività di Referee
Referee per alcune tra le riviste internazionali più importanti:
Wiley–VCH	Angewandte Chemie, Chemistry – An European Journal
RCS	Chemical Communications, Chemical Physics and Physical Chemistry, Nanoscale
ACS	Journal of the American Chemical Society, Inorganic Chemistry, Journal of Chemical Theory and Computation, Langmuir, Journal of Physical Chemistry
Elsevier	Chemical Physics Letters, Inorganica Chimica Acta, Surface Science
APS	Physical Review B, Physical Review Letters
Spinger	Nature Communications
Referee per istituzioni Nazionali:
ISCRA	*Italian SuperComputing Resource Allocation*
INSTM	Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali
Referee per istituzioni Europee:
PRACE	Partnership for Advanced Computing in Europe (Comunitè Europea)
DFG	German Research Foundation (Germania)
UEFISCDI	The Executive Agency for Higher Education, Research, Development and Innovation Funding (Romania)
NCN	National Science Centre (Narodowe Centrum Nauki) (Polonia)

Partecipazioni a Comitati Scientifici di Convegni
9/2013	Membro del Program Committee del Minisymposium on HPC Applications in Physical Sciences parte del part of the 10^th International Conference on Parallel Processing and Applied Mathematics PPAM 2013, Varsavia (Polonia)
9/2015	Membro del Program Committee del Minisymposium on HPC Applications in Physical Sciences parte del part of the 11^th International Conference on Parallel Processing and Applied Mathematics PPAM 2015, Krakow (Polonia)
9/2017	Membro del Program Committee del Minisymposium on HPC Applications in Physical Sciences parte del part of the 11^th International Conference on Parallel Processing and Applied Mathematics PPAM 2017, Lublin (Polonia)

Federico TOTTI

Interessi

Soggetti di ricerca: Correlazione tra struttura e proprietà magnetiche ed elettroniche di sistemi inorganici allo stato solido; Magneti a singola molecola; Magneti a singola catena; Molecole ancorate su superfici conduttrici; Tecniche di indagine di proprietà magnetiche; Struttura elettronica di complessi metallici; Radicali Nitronil Nitrossidi; Interazioni magnetiche tra ioni metallici e tra ioni metallici e radicali organici; Materiali magnetici basso-dimensionali; Sistemi magnetici contenenti ioni delle terre rare; Sistemi magnetici su superfici conduttrici.

Metodi d’indagine: Misure di suscettività a bassa temperatura; Uso delle tecniche di minimizzazione per la riproduzione delle misure di scuscettività e di raccolta di dati strutturali; Determinazione delle proprietà strutturali di sistemi isolati, in fase cristallina o ibrida (superfici, substrato@superfici) tramite metodi periodici basati sul funzionale della densità (pDFT) sia statici che dinamici (dinamica molecolare pDFT e classica); Determinazione stati eccitati elettronici di sistemi contenenti ioni di metalli di transione e/o ioni lantanidi e/o radicali organici tramite metodi post-HF(CASSCF, ORMAS, NEVPT2) e DFT (TD-DFT, stato di transizione di Slater); Determinazione delle interazioni di scambio magnetico tramite metodo Broken-Symmetry/DFT e via metodi post-HF; Determinazione di interazioni di doppio scambio via DFT; Determinazione di interazioni di scambio anisotropo e di ordine superiore tramite metodi post-HF; Determinazione di parametri termodinamici tramite metodi DFT, pDFT e post-HF;

Federico TOTTI

Pubblicazioni

Legenda

Contributo su rivista |

Articolo su libro |

Libro |

Contributo in atti di convegno (proceeding) |

Brevetto |

Curatela | Altro

Altro |

Tesi di Dottorato

Cornia A.; Barra A.-L.; Bulicanu V.; Clerac R.; Cortijo M.; Hillard E.A.; Galavotti R.; Lunghi A.; Nicolini A.; Rouzieres M.; Sorace L.; Totti F. (2020). The Origin of Magnetic Anisotropy and Single-Molecule Magnet Behavior in Chromium(II)-Based Extended Metal Atom Chains. INORGANIC CHEMISTRY, vol. 59, pp. 1763-1777, ISSN:0020-1669 DOI

Santana F.S.; Briganti M.; Allao Cassaro R.A.; Totti F.; Ribeiro R.R.; Hughes D.L.; Nunes G.G.; Reis D.M. (2020). An oxalate-bridged copper(II) complex combining monodentate benzoate, 2,20-bipyridine and aqua ligands: Synthesis, crystal structure and investigation of magnetic properties. MOLECULES, vol. 25, pp. 1898-1915, ISSN:1420-3049 DOI

Serrano G.; Poggini L.; Briganti M.; Sorrentino A.L.; Cucinotta G.; Malavolti L.; Cortigiani B.; Otero E.; Sainctavit P.; Loth S.; Parenti F.; Barra A.-L.; Vindigni A.; Cornia A.; Totti F.; Mannini M.; Sessoli R. (2020). Quantum dynamics of a single molecule magnet on superconducting Pb(111). NATURE MATERIALS, vol. 19, pp. 546-551, ISSN:1476-1122 DOI Accesso ONLINE all'editore

Briganti, Matteo; Garcia, Guglielmo Fernandez; Jung, Julie; Sessoli, Roberta; Le Guennic, Boris; Totti, Federico (2019). Covalency and magnetic anisotropy in lanthanide single molecule magnets: the DyDOTA archetype. CHEMICAL SCIENCE, pp. 1-2, ISSN:2041-6520 DOI Accesso ONLINE all'editore

Fernandez Garcia, Guglielmo; Montigaud, Vincent; Norel, Lucie; Cador, Olivier; Le Guennic, Boris; Totti, Federico; Pointillart, Fabrice (2019). Redox-Active Dysprosium Single-Molecule Magnet: Spectro-Electrochemistry and Theoretical Investigations. MAGNETOCHEMISTRY, vol. 5, pp. 46-59, ISSN:2312-7481 DOI Accesso ONLINE all'editore

De Souza, Mateus S.; Briganti, Matteo; Reis, Samira G.; Stinghen, Danilo; Bortolot, Carolina S.; Cassaro, Rafael A. A.; Guedes, Guilherme P.; Da Silva, Fernando C.; Ferreira, Vitor F.; Novak, Miguel A.; Soriano, Stéphane*; Totti, Federico; Vaz, Maria G. F. (2019). Magnetic Cationic Copper(II) Chains and a Mononuclear Cobalt(II) Complex Containing [Ln(hfac)4]- Blocks as Counterions. INORGANIC CHEMISTRY, vol. 58, pp. 1976-1987, ISSN:0020-1669 DOI Accesso ONLINE all'editore

Pointillart, Fabrice*; Ou-Yang, Jiang-Kun; Fernandez Garcia, Guglielmo; Montigaud, Vincent; Flores Gonzalez, Jessica; Marchal, Rémi; Favereau, Ludovic; Totti, Federico; Crassous, Jeanne; Cador, Olivier; Ouahab, Lahcène; Le Guennic, Boris (2019). Tetrathiafulvalene-Based Helicene Ligand in the Design of a Dysprosium Field-Induced Single-Molecule Magnet. INORGANIC CHEMISTRY, vol. 58, pp. 52-56, ISSN:0020-1669 DOI Accesso ONLINE all'editore

Poggini, Lorenzo; Londi, Giacomo; Milek, Magdalena; Naim, Ahmad; Lanzilotto, Valeria; Cortigiani, Brunetto; Bondino, Federica; Magnano, Elena; Otero, Edwige; Sainctavit, Philippe; Arrio, Marie-Anne; Juhin, Amélie; Marchivie, Mathieu; Khusniyarov, Marat M; Totti, Federico; Rosa, Patrick; Mannini, Matteo (2019). Surface effects on a photochromic spin-crossover iron(ii) molecular switch adsorbed on highly oriented pyrolytic graphite. NANOSCALE, vol. 11, pp. 20006-20014-20014, ISSN:2040-3364 DOI

Cimatti, I.; Bondì, L.; Serrano, G.; Malavolti, L.; Cortigiani, B.; Velez-Fort, E.; Betto, D.; Ouerghi, A.; Brookes, N. B.; Loth, S.; Mannini, M.; Totti, F.; Sessoli, R. (2019). Vanadyl phthalocyanines on graphene/SiC(0001): toward a hybrid architecture for molecular spin qubits. NANOSCALE HORIZONS, pp. 0-0, ISSN:2055-6756 DOI Accesso ONLINE all'editore

Patrascu A.A.; Briganti M.; Soriano S.; Calancea S.; Allao Cassaro R.A.; Totti F.; Vaz M.G.F.; Andruh M. (2019). SMM Behavior Tuned by an Exchange Coupling LEGO Approach for Chimeric Compounds: First 2p-3d-4f Heterotrispin Complexes with Different Metal Ions Bridged by One Aminoxyl Group. INORGANIC CHEMISTRY, vol. 58, pp. 13090-13101, ISSN:0020-1669 DOI Accesso ONLINE all'editore

Dirvanauskas, Aivaras; Galavotti, Rita; Lunghi, Alessandro; Nicolini, Alessio; Roncaglia, Fabrizio; Totti, Federico; Cornia, Andrea* (2018). Solution structure of a pentachromium(II) single molecule magnet from DFT calculations, isotopic labelling and multinuclear NMR spectroscopy. DALTON TRANSACTIONS, vol. 47, pp. 585-595, ISSN:1477-9226 DOI Accesso ONLINE all'editore

Malavolti, Luigi; Briganti, Matteo; Hänze, Max; Serrano, Giulia; Cimatti, Irene; McMurtrie, Gregory; Otero, Edwige; Ohresser, Philippe; Totti, Federico; Mannini, Matteo; Sessoli, Roberta; Loth, Sebastian (2018). Tunable Spin-Superconductor Coupling of Spin 1/2 Vanadyl Phthalocyanine Molecules. NANO LETTERS, vol. 18, pp. 7955-7961, ISSN:1530-6984 DOI Accesso ONLINE all'editore

Poggini, Lorenzo; Milek, Magdalena; Londi, Giacomo; Naim, Ahmad; Poneti, Giordano; Squillantini, Lorenzo; Magnani, Agnese; Totti, Federico; Rosa, Patrick; Khusniyarov, Marat M.; Mannini, Matteo (2018). Room temperature control of spin states in a thin film of a photochromic iron(ii) complex. MATERIALS HORIZONS, vol. ???, pp. 1-7, ISSN:2051-6347 DOI

Fernandez Garcia, Guglielmo; Guettas, Djamila; Montigaud, Vincent; Larini, Paolo; Sessoli, Roberta; Totti, Federico; Cador, Olivier*; Pilet, Guillaume; Le Guennic, Boris (2018). A Dy4 Cubane: A New Member in the Single-Molecule Toroics Family. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, vol. 57, pp. 17089-17093, ISSN:1433-7851 DOI Accesso ONLINE all'editore

Huang, Gang; Fernandez-Garcia, Guglielmo; Badiane, Insa; Camarra, Magatte; Freslon, Stéphane; Guillou, Olivier; Daiguebonne, Carole; Totti, Federico; Cador, Olivier; Guizouarn, Thierry; Le Guennic, Boris*; Bernot, Kevin (2018). Magnetic Slow Relaxation in a Metal–Organic Framework Made of Chains of Ferromagnetically Coupled Single-Molecule Magnets. CHEMISTRY-A EUROPEAN JOURNAL, vol. 24, pp. 6983-6991, ISSN:0947-6539 DOI Accesso ONLINE all'editore

Cini, Alberto; Mannini, Matteo; Totti, Federico; Fittipaldi, Maria; Spina, Gabriele; Chumakov, Aleksandr; Rüffer, Rudolf; Andrea, Cornia; Sessoli, Roberta (2018). Mössbauer spectroscopy of a monolayer of single molecule magnets. NATURE COMMUNICATIONS, vol. 9, pp. 0-0, ISSN:2041-1723 DOI

Lunghi, Alessandro; Totti, Federico; Sessoli, Roberta; Sanvito, Stefano (2017). The role of anharmonic phonons in under-barrier spin relaxation of single molecule magnets. NATURE COMMUNICATIONS, vol. 8, pp. 14620-14626, ISSN:2041-1723 DOI Accesso ONLINE all'editore

Lunghi, Alessandro; Totti, Federico; Sanvito, Stefano; Sessoli, Roberta (2017). Intra-molecular origin of the spin-phonon coupling in slow-relaxing molecular magnets. CHEMICAL SCIENCE, vol. 8, pp. 6051-6059, ISSN:2041-6520 DOI Accesso ONLINE all'editore

Speed, S.; Feng, M.; Fernandez Garcia, G.; Pointillart, F.; Lefeuvre, B.; Riobé, F.; Golhen, S.; Le Guennic, B.; Totti, F.; Guyot, Y.; Cador, O.; Maury, O.; Ouahab, L. (2017). Lanthanide complexes involving multichelating TTF-based ligands. INORGANIC CHEMISTRY FRONTIERS, vol. 4, pp. 604-617, ISSN:2052-1545 DOI

Patrascu, Andrei A.; Calancea, Sergiu; Briganti, Matteo; Soriano, Stã©phane; Madalan, Augustin M.; Cassaro, Rafael A. Allã£o; Caneschi, Andrea; Totti, Federico; Vaz, Maria G. F.; Andruh, Marius (2017). A chimeric design of heterospin 2p-3d, 2p-4f, and 2p-3d-4f complexes using a novel family of paramagnetic dissymmetric compartmental ligands. CHEMICAL COMMUNICATIONS, vol. 53, pp. 6504-6507, ISSN:1359-7345 DOI Accesso ONLINE all'editore

Lunghi, Alessandro; Totti, Federico (2016). The Role of Anisotropic Exchange in Single Molecule Magnets: A CASSCF/NEVPT2 Study of the Fe4 SMM Building Block [Fe2(OCH3)2(dbm)4] Dimer. INORGANICS, vol. 4, pp. 28-38, ISSN:2304-6740 DOI Accesso ONLINE all'editore

Reis, Samira G.; Briganti, Matteo; Soriano, Stéphane; Guedes, Guilherme P.; Calancea, Sergiu; Tiseanu, Carmen; Novak, Miguel A.; del Águila-Sánchez, Miguel A.; Totti, Federico; Lopez-Ortiz, Fernando; Andruh, Marius; Vaz, Maria G. F. (2016). Binuclear Lanthanide-Radical Complexes Featuring Two Centers with Different Magnetic and Luminescence Properties. INORGANIC CHEMISTRY, vol. 55, pp. 11676-11684, ISSN:0020-1669 DOI Accesso ONLINE all'editore

Bartoli, Francesco; Bencini, Andrea; Garau, Alessandra; Giorgi, Claudia; Lippolis, Vito; Lunghi, Alessandro; Totti, Federico; Valtancoli, Barbara (2016). Di- and triphosphate tecognition and sensing with mono- and dinuclear fluorescent zinc(II) complexes: clues for the design of selective chemosensors for anions in aqueous media. CHEMISTRY-A EUROPEAN JOURNAL, vol. 22, pp. 14890-14901, ISSN:0947-6539 DOI Accesso ONLINE all'editore

Tesi, L; Lunghi, A; Atzori, M; Lucaccini, E; Sorace, L; Totti, F; Sessoli, R (2016). Giant spin-phonon bottleneck effects in evaporable vanadyl-based molecules with long spin coherence. DALTON TRANSACTIONS, vol. 45, pp. 16635-16643, ISSN:1477-9234 DOI Accesso ONLINE all'editore

Selvanathan, Pramila; Huang, Gang; Guizouarn, Thierry; Roisnel, Thierry; Fernandez-Garcia, Guglielmo; Totti, Federico; Le guennic, Boris; Calvez, Guillaume; Bernot, Kévin; Norel, Lucie; Rigaut, Stéphane (2016). Highly Axial Magnetic Anisotropy in a N3O5Dysprosium(III) Coordination Environment Generated by a Merocyanine Ligand. CHEMISTRY-A EUROPEAN JOURNAL, vol. 22, pp. 15222-15226, ISSN:0947-6539 DOI Accesso ONLINE all'editore

Ou-Yang, J.-K.; Saleh, N.; Fernandez Garcia, G.; Norel, L.; Pointillart, F.; Guizouarn, T.; Cador, O.; Totti, F.; Ouahab, L.; Crassous, J.; Le Guennic, B. (2016). Improved Slow Magnetic Relaxation in Optically Pure Helicene- Based DyIII Single Molecule Magnet. CHEMICAL COMMUNICATIONS, vol. --, pp. 0-0, ISSN:1359-7345 DOI Accesso ONLINE all'editore

Lanzilotto, Valeria; Malavolti, Luigi; Ninova, Silviya; Cimatti, Irene; Poggini, Lorenzo; Cortigiani, Brunetto; Mannini, Matteo; Totti, Federico; Cornia, Andrea; Sessoli, Roberta (2016). The Challenge of Thermal Deposition of Coordination Compounds: Insight into the Case of an Fe4 Single Molecule Magnet. CHEMISTRY OF MATERIALS, vol. 28, pp. 7693-7702, ISSN:0897-4756 DOI Accesso ONLINE all'editore

Reis, Samira G.; Briganti, Matteo; Martins, Daniel O. T. A.; Akpinar, Handan; Calancea, Sergiu; Guedes, Guilherme P.; Soriano, Stéphane; Andruh, Marius; Cassaro, Rafael A. A.; Lahti, Paul M; Totti, Federico; Vaz, Maria G. F. (2016). First coordination compounds based on a bis(imino nitroxide) biradical and 4f metal ions: Synthesis, crystal structures and magnetic properties. DALTON TRANSACTIONS, vol. 45, pp. 2936-2944, ISSN:1477-9226 DOI Accesso ONLINE all'editore

Fernandez Garcia, Guglielmo; Lunghi, Alessandro; Totti, Federico; Sessoli, Roberta (2016). Toward Mesoscale Properties of Self-Assembled Monolayers of SMM on Au(111): An Integrated Ad Hoc FF and DFT Study. JOURNAL OF PHYSICAL CHEMISTRY. C, vol. 120, pp. 14774-14781, ISSN:1932-7447 DOI Accesso ONLINE all'editore

Fernandez-Garcia, Guglielmo; Flores Gonzalez, Jessica; Ou-Yang, Jiang-Kun; Saleh, Nidal; Pointillart, Fabrice; Cador, Olivier; Guizouarn, Thierry; Totti, Federico; Ouahab, Lahcène; Crassous, Jeanne; Le Guennic, Boris (2016). Slow Magnetic Relaxation in Chiral Helicene-Based Coordination Complex of Dysprosium. MAGNETOCHEMISTRY, vol. 3, pp. 2-13, ISSN:2312-7481 DOI Accesso ONLINE all'editore

Lucaccini, Eva; Briganti, Matteo; Perfetti, Mauro; Vendier, Laure; Costes, Jean-Pierre; Totti, Federico; Sessoli, Roberta; Sorace, Lorenzo (2016). Relaxation Dynamics and Magnetic Anisotropy in a Low-Symmetry DyIII Complex. CHEMISTRY-A EUROPEAN JOURNAL, vol. 22, pp. 5552-5562, ISSN:0947-6539 DOI Accesso ONLINE all'editore

Caneschi, Andrea; Gatteschi, Dante; Totti, Federico (2015). Molecular magnets and surfaces: A promising marriage. A DFT insight. COORDINATION CHEMISTRY REVIEWS, vol. 289-290, pp. 357-378, ISSN:0010-8545 DOI

Lunghi, Alessandro; Iannuzzi, Marcella; Sessoli, Roberta; Totti, Federico (2015). Single molecule magnets grafted on gold: magnetic properties from ab initio molecular dynamics. JOURNAL OF MATERIALS CHEMISTRY. C, vol. 3, pp. 7294-7304, ISSN:2050-7526 DOI

Marzo, Tiziano; Pillozzi, Serena; Hrabina, Ondrej; Kasparkova, Jana; Brabec, Viktor; Arcangeli, Annarosa; Bartoli, Gianluca; Severi, Mirko; Lunghi, Alessandro; Totti, Federico; Gabbiani, Chiara; Quiroga, Adóracion G; Messori, Luigi (2015). cis-Pt I2(NH3)2: a reappraisal. DALTON TRANSACTIONS, vol. 44, pp. 14896-14905, ISSN:1477-9234 DOI Accesso ONLINE all'editore

Burgess, Jacob A.J.; Malavolti, Luigi; Lanzilotto, Valeria; Mannini, Matteo; Yan, Shichao; Ninova, Silviya; Totti, Federico; Rolf-Pissarczyk, Steffen; Cornia, Andrea; Sessoli, Roberta; Loth, Sebastian (2015). Magnetic fingerprint of individual Fe<inf>4</inf> molecular magnets under compression by a scanning tunnelling microscope. NATURE COMMUNICATIONS, vol. 6, pp. 8216-8222, ISSN:2041-1723 DOI Accesso ONLINE all'editore

Malavolti, Luigi; Lanzilotto, Valeria; Ninova, Silviya; Poggini, Lorenzo; Cimatti, Irene; Cortigiani, Brunetto; Margheriti, Ludovica; Chiappe, Daniele; Otero, Edwige; Sainctavit, Philippe; Totti, Federico; Cornia, Andrea; Mannini, Matteo; Sessoli, Roberta (2015). Magnetic bistability in a submonolayer of sublimated Fe4 single-molecule magnets. NANO LETTERS, vol. 15, pp. 535-541, ISSN:1530-6984 DOI Accesso ONLINE all'editore

L. Poggini;S. Ninova;P. Graziosi;M. Mannini;V. Lanzilotto;B. Cortigiani;L. Malavolti;F. Borgatti;U. Bardi;F. Totti;I. Bergenti;V. A. Dediu;R. Sessoli (2014). A Combined Ion Scattering, Photoemission, and DFT Investigation on the Termination Layer of a La0.7Sr0.3MnO3 Spin Injecting Electrode. JOURNAL OF PHYSICAL CHEMISTRY. C, vol. 118, pp. 13631-13637, ISSN:1932-7447 DOI

Alessandro Lunghi; Federico Totti (2014). DFT Magnetic Characterization of a Fe4 SMMs Series: From Isotropic Exchange Interactions to Multi-Spin Zero Field Splitting.. JOURNAL OF MATERIALS CHEMISTRY. C, pp. 8333-8343, ISSN:2050-7526 DOI Accesso ONLINE all'editore

Silviya Ninova;Valeria Lanzilotto;Luigi Malavolti;Luca Rigamonti;Brunetto Cortigiani;Matteo Mannini;Federico Totti;Roberta Sessoli (2014). Valence Electronic Structure of Sublimated Fe4Single-Molecule Magnets: an Experimental and Theoretical Characterization. JOURNAL OF MATERIALS CHEMISTRY. C, vol. 2, pp. 9599-9608, ISSN:2050-7526 DOI Accesso ONLINE all'editore

Irene Cimatti;Silviya Ninova;Valeria Lanzilotto;Luigi Malavolti;Luca Rigamonti;Brunetto Cortigiani;Matteo Mannini;Elena Magnano;Federica Bondino;Federico Totti;Andrea Cornia;Roberta Sessoli (2014). UHV deposition and characterization of a mononuclear iron(III) β-diketonate complex on Au(111). BEILSTEIN JOURNAL OF NANOTECHNOLOGY, vol. 5, pp. 2139-2148, ISSN:2190-4286 DOI

E. Heintze; C. Clauβ; M.G. Pini; A. Rettori; F. Totti; M. Dressel; L. Bogani (2013). Dynamic control of magnetic nanowires by light-induced domain-wall kickoffs. NATURE MATERIALS, vol. 12, pp. 202-206, ISSN:1476-1122 DOI

Federico Totti ; Gopalan Rajaraman ; Marcella Iannuzzi ; Roberta Sessoli (2013). Computational Studies on SAMs of {Mn6} SMMs on Au(111): Do Properties Change Upon Grafting?. JOURNAL OF PHYSICAL CHEMISTRY. C, vol. 117, pp. 7186-7190, ISSN:1932-7447 DOI Accesso ONLINE all'editore

Luca Rigamonti;Marco Piccioli;Luigi Malavolti;Lorenzo Poggini;Matteo Mannini;Federico Totti;Brunetto Cortigiani;Agnese Magnani;Roberta Sessoli;Andrea Cornia (2013). Enhanced Vapor-Phase Processing in Fluorinated Fe4Single-Molecule Magnets. INORGANIC CHEMISTRY, vol. 52, pp. 5897-5905, ISSN:0020-1669 DOI

M. Jaccob; G. Rajaraman; F. Totti (2012). On the kinetics and thermodynamics of S–X (X 5 H, CH3, SCH3, COCH3, and CN) cleavage in the formation of self-assembled monolayers of alkylthiols on Au(111). THEORETICAL CHEMISTRY ACCOUNTS, vol. 131, pp. 1150-1160, ISSN:1432-2234 DOI

M. Mannini; A. Cornia; L. Armelao; A. Magnani; P. Sainctavit; F. Totti; D. Gatteschi; R. Sessoli (2011). A multidisciplinary research under the aegis of the INSTM consortium, exploration of the properties of nanostructured magnetic molecules. In: XXIV Congresso Nazionale della Società Chimica Italiana, Lecce, 11-16 Settembre 2011, -, pp. ---.

Carlucci L; Ciani G; Maggini S; Proserpio DM; Sessoli R; Totti F (2011). Synthesis and characterization of new oligomeric and polymeric complexes based on the [Cu(II)(bpca)](+) unit [Hbpca = bis(2-pyridylcarbonyl)amine]. INORGANICA CHIMICA ACTA, vol. 376, pp. 538-548, ISSN:0020-1693 DOI

G Rajaraman; A Caneschi; F Totti; D Gatteschi (2011). A Periodic mixed Gaussians-plane Waves DFT Study on Simple Thiols on Au(111): Adsorbate Species, Surface Reconstruction, and Thiols Functionalization. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 13, pp. 3886-3895, ISSN:1463-9076 DOI

G.Rajaraman; A.Caneschi; D.Gatteschi; F.Totti (2010). A DFT exploration of the organization of thiols on Au(111): a route to self-assembled monolayer of magnetic molecules. JOURNAL OF MATERIALS CHEMISTRY, vol. 20, pp. 10747-10754, ISSN:0959-9428 DOI

M. Mannini; F. Pineider; C. Danieli; F. Totti; L. Sorace; Ph. Sainctavit; M.-A. Arrio; E. Otero; L. Joly; J. C. Cezar; A. Cornia; R. Sessoli (2010). Quantum tunnelling of the magnetization in a monolayer of oriented single-molecule magnets. NATURE, vol. 468, pp. 417-421, ISSN:0028-0836 DOI

C.Bazzicalupi; A.Bencini; S. Biagini; A. Bianchi; E. Faggi; C. Giorgi; M. Marchetta; F. Totti; B. Valtancoli (2009). Polyamine Receptors Containing Dipyridine or Phenanthroline Units:Clues for the Design of Fluorescent Chemosensors for Metal Ions. CHEMISTRY-A EUROPEAN JOURNAL, vol. 15, pp. 8049-8063, ISSN:0947-6539 DOI

A.BENCINI; F.TOTTI (2009). A Few Comments on the Application of DensityFunctional Theory to the Calculation of the MagneticStructure of Oligo-Nuclear Transition Metal Clusters. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 5, pp. 144-154, ISSN:1549-9618 DOI Accesso ONLINE all'editore

G. Rajaraman; F. Totti; A. Bencini; A. Caneschi; R. Sessoli; D. Gatteschi (2009). Density functional studies on the exchange interaction of a dinuclear Gd(III)-Cu(II) Complex: Method assessment, magnetic coupling mechanism and magneto-structural correlations. DALTON TRANSACTIONS, vol. -, pp. 3153-3161, ISSN:1477-9226 DOI

A.Bencini;G.Rajaraman;F.Totti;M.Tusa (2009). Modeling thiols on Au(111): Structural, thermodynamic and magnetic properties of simple thiols and thiol-radicals. SUPERLATTICES AND MICROSTRUCTURES, vol. 46, pp. 4-9, ISSN:0749-6036 DOI

B. BRAUER; F. WEIGEND; F. TOTTI; D.R.T. ZAHN; T. RUFFER; G. SALVAN (2008). Magnetic and Optical Properties of Cu(II)-Bis(oxamato) Complexes: Combined Quantum Chemical Density Functional Theory and Vibrational Spectroscopy Studies. JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, vol. 112, pp. 5585-5593, ISSN:1520-6106 DOI

A. BENCINI; F. TOTTI (2008). On the importance of the biquadratic terms in exchange coupled systems. A post-HF investigation. INORGANICA CHIMICA ACTA, vol. 361, pp. 4153-4156, ISSN:0020-1693 DOI

D. KRISHNAMURTHY; A. SARJEANT; D. P. GOLDBERG; A. CANESCHI; F. TOTTI; L. N. ZAKHAROV; A. L. RHEINGOLD (2005). Mononuclear, Dinuclear, and Pentanuclear (N,S(thiolate))Iron(II) Complexes: Nuclearity Control, Incorporation of Hydroxide Bridging Ligands, and Magnetic Behavior. CHEMISTRY-A EUROPEAN JOURNAL, vol. 11, pp. 7328-7341, ISSN:0947-6539 DOI

A. BENCINI; F. TOTTI (2005). DFT Description of the Magnetic Structure of Polynuclear Transition Metal Clusters. The Complexes [Cu(bpca)2{Cu(HNO3)2}2], (bpca = Bis(2-pyridylcarbonyl)amine), and [Cu(DBSQ)(C2H5O)]2, (DBSQ = 3,5-di-tert-butyl-semiquinonato). INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, vol. 101, pp. 819-825, ISSN:0020-7608 DOI

A. BENCINI; C. CARBONERA; F. TOTTI (2004). DFT Description of the Electronic Structure and Spectro-Magnetic Properties of Strongly Correlated Electronic Systems. The Ni(II), Cu(II), and Zn(II) o-Dioxolene Complexes. CHEMISTRY-A EUROPEAN JOURNAL, vol. 10, pp. 1472-1480, ISSN:0947-6539 DOI

Hegetschweiler K; Morgenstern B; Zubieta J; Hagrman PJ; Lima N; Sessoli R; Totti F (2004). Strong ferromagnetic interactions in [V8O14(H(-2)taci): An unprecedented large spin ground state for a vanadyl cluster. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, vol. 43, pp. 3436-3439, ISSN:1433-7851 DOI

A. Bencini; J-P. Costes; F. Dahan; A. Dupuis; J. Garcia-Tojal; D. Gatteschi; F. Totti (2004). A Dinuclear Copper(II) Complex with a Cu(O,NO)Cu Bridging core. Structural and Magnetic (Experimental and Theroretical) Studies. INORGANICA CHIMICA ACTA, vol. 357, pp. 2150-2156, ISSN:0020-1693 DOI

A. BENCINI; A. SCOZZAFAVA; F. TOTTI; E. BILL (2003). DENSITY FUNCTIONAL CHARACTERIZATION OF THE CHEMOSELECTIVE OXIDATION OF CATECHOL BY USING MOLECULAR OXYGEN: THERMODYNAMICS OF THE REACTION BETWEEN [(TRIPHOS)IR(DTBC)](+) AND O-2. CHEMISTRY-A EUROPEAN JOURNAL, vol. 9, pp. 3015-3023, ISSN:0947-6539

A. Bencini; E. Bill; A. Scozzafava; F. Totti (2003). Density Functional Characterization of the Catalytic Mechanism of [(triphos)Ir(DBTC)]+ with O2: an Insight into Enzymatic Cleavage Occuring in Dioxygenases. CHEMISTRY-A EUROPEAN JOURNAL, vol. 9, pp. 3015-3023, ISSN:0947-6539 DOI

K.M.STOBIE;Z.R.BELL;T.W.MUNHOVEN;J.P.MAHER;J.A.MCCLEVERTY;M.D.WARD;E.J.L.MCINNES;F.TOTTI;D.GATTESCHI (2003). Mono- and Di-nuclear Tris(pyrazolyl)borato-Oxo-Tungsten(V) Complexes with the Phenolate Ligands: Syntheses and Structures, and Magnetic, electrochemical and UV/Vis/NIR sprectroscopic properties. DALTON TRANSACTIONS, vol. --, pp. 36-45, ISSN:1477-9226 DOI

A. BENCINI; A. DEI; C. SANGREGORIO; F. TOTTI; M. G. F. VAZ (2003). Crystal and Molecular Structure and Magnetic Exchange Properties of Bis(di- -ethoxo-bis(3,5-di-tert-butylsemiquinonato)dicopper(II)) Complex. A Synergy between DFT and Experimental Magnetochemistry. INORGANIC CHEMISTRY, vol. 42, pp. 8065-8071, ISSN:0020-1669 DOI

V. BARONE; A. BENCINI; D. GATTESCHI; F. TOTTI (2002). DFT Description of the Magnetic Properties and Electron Localization in Dinuclear Di-μ-Oxo-Bridged Manganese Complexes. CHEMISTRY-A EUROPEAN JOURNAL, vol. 8, pp. 5019-5027, ISSN:0947-6539 DOI

S. R. BAYLY; E. R. HUMPREY; H. DE CHAIR; C. G. PAREDES; Z. R. BELL; J. C. JEFFEREY; J. A. MCCLEVERTY; M. D. WARD; F. TOTTI; D. GATTESCHI; S. COURRIC; B. STEELE; AND C. G. SCRETTAS (2001). Electronic and Magnetic metal-metal Interactions in Dinuclear oxo-Mo(V) complexes across bis-phenolate bridging ligands with different spacers between the phenolate termini: ligand centred vs. metal-centred redox activity. JOURNAL OF THE CHEMICAL SOCIETY. DALTON TRANSACTIONS, vol. 9, pp. 1288-1293, ISSN:1472-7773 DOI

Y. PONTILLON; A. BENCINI; A. CANESCHI; A. DEI; D. GATTESCHI; B. GILLON; C. SANGREGORIO; J. STRIDE; F. TOTTI (2000). Spin-Density Map of the Triplet Ground State of a Titanium(IV) Complex with Schiff-Base Diquinone Radical Ligands: An Investigation Using Polarized-Neutron Diffraction and Density-Functional Theory. ANGEWANDTE CHEMIE, vol. 10, pp. 1786-1788, ISSN:0044-8249 DOI

S. Bayly; J. A. McCleverty; M. D. Ward; D. Gatteschi; F. Totti (2000). Metal-Metal Interactions as a Function of Bridging Ligand Topology: an Electrochemical, Spectroelectrochemical and Magnetic Study on Dinuclear Oxo-Mo(V) Complexes with Various Isomers of Dihydroxynaphthalene as Bridging Ligand. INORGANIC CHEMISTRY, vol. 39, pp. 1288-1293, ISSN:0020-1669 DOI

Armstrong WH; Dube CE; Gatteschi D; Sessoli R; Totti F; Noodleman L (2000). Magnetic coupling in and reactivity of multinuclear manganese(IV) compounds: Insight from density functional theory. ABSTRACTS OF PAPERS - AMERICAN CHEMICAL SOCIETY, vol. 220, pp. 414-414, ISSN:0065-7727

A. Bencini; E. Bill; F. Mariotti; F. Totti; A. Scozzafava; A. Vargas (2000). Density Functional Description of the Early Stages in the Dioxygenation of [(triphos)M(Catecholate)]+ Complexes [M = Co(III), Ir(III)]. Toward a rationalization of the catalytic mechanism of ring opening dioxygenases. INORGANIC CHEMISTRY, vol. 39, pp. 1418-1425, ISSN:0020-1669 DOI

V. AN UNG; S. M. COUCHMAN; J. C. JEFFREY; J. A. MCCLEVERTY; M. D. WARD; F. TOTTI; D. GATTESCHI (1999). Electrochemical and magnetic exchange interactions in trinuclear chain complexes containing oxo-Mo(V) fragments as a function of the topology of the bridging ligand. INORGANIC CHEMISTRY, vol. 38, pp. 365-369, ISSN:0020-1669 DOI

C. ADAMO; V. BARONE; A. BENCINI; F. TOTTI; I. CIOFINI (1999). On calculation and Modeling Magnetic Exchange Interactions in Weakly Bonded Systems. The case of the Ferromagnetic Copper(II) μ2-Azido Bridged Complexes. INORGANIC CHEMISTRY, vol. 38, pp. 1996-2004, ISSN:0020-1669 DOI

A. Bencini; D. Gatteschi; M. Mattesini; F. Totti; I. Ciofini (1999). Density Functional Description of Mixed Valence Magnetic Systems. Mn(III)-Mn(IV) and Fe(II)-Fe(III) Complexes. MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY. SECTION A, MOLECULAR CRYSTALS AND LIQUID CRYSTALS, vol. 335, pp. 665-674, ISSN:1058-725X DOI

K. L. V. MANN; E. PSILLAKIS; J. C. JEFFERY; L. H. REES; N. M. HARDEN; J. A. MCCLEVERTY; M. D. WARD; D. GATTESCHI; F. TOTTI; F. E. MABBS; E. J. L. MCINNES; P. C. RIEDI; G. M. SMITH (1999). Tetranuclear grid-like copper(II) complexes with pyrazolate bridges: syntheses, structures, magnetic and EPR spectroscopic properties. JOURNAL OF THE CHEMICAL SOCIETY DALTON TRANSACTIONS, vol. 3, pp. 339-348, ISSN:0300-9246 DOI

V. BARONE; A. BENCINI; I. CIOFINI; C. A. DAUL; F. TOTTI (1998). Density Functional Modeling of Double Exchange Interactions in Transition Metal Complexes. Calculation of the Ground State Properties of [Fe2(OH)3(tmtcacn)2]2+. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 120, pp. 8357-8365, ISSN:0002-7863 DOI

V. BARONE; A. BENCINI; M. COSSI; A. DI MATTEO; M. MATTESINI; F. TOTTI (1998). Assessment of a combined QM/MM approach for the study of large nitroxide systems in vacuo and in condensed phases. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 120, pp. 7069-7078, ISSN:0002-7863 DOI

A. BENCINI; D. GATTESCHI; F. TOTTI; D. NIETO SANZ; J. A. MC CLEVERTY; M. D. WARD (1998). DFT Modeling of Long Range Super-Exchange Interactions in Dinuclear Oxomolybdenum(V) Complexes. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, vol. 102, pp. 10545-10551, ISSN:1089-5639 DOI

A. BENCINI; F. TOTTI; C.A. DAUL; K. DOCLO; P. FANTUCCI; V. BARONE (1997). Density Functional Calculations of Magnetic Exchange Interactions in Polynuclear Transition Metal Complexes. INORGANIC CHEMISTRY, vol. 36, pp. 5022-5030, ISSN:0020-1669 DOI

V. Barone; A. Bencini; F. Totti; M. Uytterhoeven (1997). Comparison between Post Hartree-Fock and DFT Methods for the Study of Strength and Mechanism of Cleavage of Hg-C. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, vol. 61, pp. 361-367, ISSN:0020-7608 DOI

V. AN UNG; A. M. W. CARGILL THOMPSON; D. A. BARDWELL; D. GATTESCHI; J. C. JEFFERY; J. A. MACCLEVERTY; F. TOTTI; M. D. WARD (1997). Roles of Bridging Ligand Topology and Conformation in Controlling Exchange Interactions between Paramagnetic Molybdenum Fragments in Dinuclear and Trinuclear Compounds. INORGANIC CHEMISTRY, vol. 36, pp. 3447-3454, ISSN:0020-1669

V. Barone; A. Bencini; F. Totti; M. G. Uytterhoeven (1996). Theoretical Characterization of the Mechanism of Hg-C Bond Cleavage by Halogenic Acids. ORGANOMETALLICS, vol. 15, pp. 1465-1469, ISSN:0276-7333 DOI

V. BARONE; A. BENCINI; F. TOTTI; M. UYTTERHOEVEN (1995). Theoretical Study of the Electronic Structure and of the Mercury-Carbon Bonding of Methylmercury(II) Compounds. THE JOURNAL OF PHYSICAL CHEMISTRY, vol. 99, pp. 12743-12750, ISSN:0022-3654

Federico TOTTI

Insegnamenti relativi all'Anno Accademico

- - -

Federico TOTTI

Curriculum

Curriculum

Federico Totti

Research Activity
1/5/1996 - 31/10/1996	I.N.C.M. grant Research tilte: “Indagini Teoriche su Interazioni Magnetiche”
1/11/1996 - 31/10/1999	PhD grant in “Scienza e Tecnologia dei Materiali”, Università di Firenze, Facoltà di Ingegneria.
1/7/2000 - 30/6/2002	Assegno di Ricerca (Post-Doc) on '“Interpretazione delle Proprietà Magnetiche di Materiali Molecolari e Solidi Periodici con la Teoria del Funzionale della Densità Eletronica”
1/7/2002 - 30/6/2004	Assegno di Ricerca (Post-Doc) on “Sviluppo e applicazioni di metodi quantomeccanici per l'interpretazione delle proprietà magnetiche di Materiali Molecolari”
1/07/2004 - 30/4/2005	Contract for the European Network QuEMolNa (Quantum Effects in Molecular Nanomagnets)
2/05/2005 - 31/08/2006	Young Resercher Position on FIRB “Composti molecolari e materiali ibridi nanostrutturati con proprietà ottiche risonanti e non risonanti per dispositivi fotonici”
1/09/2006 - 30/09/2017	Associated Researcher CHIM/03 (Confirmed on 2010) at Dep. of Chemistry of Università degli Studi di Firenze
2012	Qualified as Associated Professor (ASN 2012) 03/A2 - Models and Methods for Chemical Sciences 03/B1 - Fundamentals of Chemical Sciences and Inorganic systems 03/B2 - Fundamentals of Chemical Technologies
01/10/2017 - today	Associate Professor CHIM/03 at Dep. of Chemistry of Università degli Studi di Firenze
2017	Qualified as Full Professor (ASN 2016) 03/B1 - Fundamentals of chemical sciences and inorganic systems 03/B2 - Fundamentals of chemical technologies
1995-today	Author e co-author of more than 130 communications to nazional/international conferences and meetings: 18 orals (12 invited) as single author or principal author 1 written (invited) 3 within national and european project meetings >20 orals as co-author 10 seminars (invited) in national, european, and international research Institutes 80 papers on international journals e 2 conference proceedings. Average IF on pubblications: 7.0 Pubblictions as Corresponding Author: 23
2015	VQR 2004-2010 (National Research Evaluation): Excellent
2017	VQR 2011-2014(National Research Evaluation): Excellent

	Present and past collaborations
France	B. Gillon, Laboratoire Leon Brillouin, C.E.A, Saclay; Y. Pontillon, Department de Recherche Fondamentale sur la Matière Condensée - Diffractione Neutronique, Centre d'Etudes Nucleaires, Grenoble; K. Bernot, I.N.S.A., Rennes; P. Sainctavit, C. cartier dit Moulin, Institut de MIneralogie et de Physique del Milieux Condensés e Institut Pariesien de Chimie Moleculaire, B. Le Guennic, F. Pontilliart, O. Cador, L. Norel, Institut des Sciences Chimiques de Rennes; J-P. Costes, Laboratoire de Chimie de Coordination du CNRS, Toulouse; C. Adamo, I. Ciofini, Chimie Paristech.
UK	L. Bogani, University of Oxford; J. A. McCleverty University of Bristol; M.D Ward, University of Sheffield.
Austria	S. Müllegger,Johannes Kepler University Linz
Ireland	S. Sanvito, Trinity College, Dublino
Spain	M. Mattesini, Università Complutense de Madrid.
Switzerland	M. Iannuzzi, Università di Zurigo.
Germany	K. Hegetschweiler, Anorganische Chemie, Universitat des Saarlandes, Saarbruken; S. Loth Max-Planck-Institut für Struktur und Dynamik der Materie, Amburgo; E. Bill, Max-Planck-Institut für Chemisce ENRGIEKonversion, Department Molecular Theory and Spectroscopy, Mulheim.
Poland	G. Kamienarz, Dipartimento di Fisica, University A. Mickiewicz
Romania	M. Andruh, Department of Chemistry, University of Bucharest.
Brasil	M.A. Novak, Instituto de Fisica, Universidad Federal do Rio de Janeiro; M.G.F. Vaz, Instituto de Quìmica, Universidad Federal Fluminense.
USA	D. Goldberg, Department of Chemistry, Northwestern University, Evanston, IL.
India	G. Rajaraman, Department of Chemistry, IIT Bombay
New Zeland	S. Brooker, Department of Chemistry, University of Otago

Educational Qualifications

9/1990 - 7/1995

Master Degree in Chemistry

Università di Firenze, Facoltà di Scienze M.F. e N.

Final exam on “Caratterizzazione e Reattività di Composti Organomercuriali con Metodi Quantomeccanici"

Tutor: Prof. A. Bencini; Co-Tutor Prof. R. Righini

24 Marzo 2000

PhD Viva on "DFT Modeling of Magnetic Interactions in Molecular Materials"

Invitations at National and International Research Institutes
06/2005	INFN-CNR, Modena (Italy)
01/2006	CNR, Pisa (Italy)
02/2007	Dept. of Physics of Univ A. Mickiewicz, Poznan (Poland)
2/2014	Scuola Normale Superiore, Pisa(Italy)
01/2015	Universitè Rennes 1, Rennes(France)
11/2015	Università Federal Fluminese, Niteroi (Brasil)
11/2015	Università Federal Rio de Janeiro, Rio de Janeiro,(Brasil)

Partecipation to Local, National, and European Research Programs (Financed)
1997 (2 yrs)	As PartecipanttoPRIN prot. 9703101051 - "Molecole per MaterialiNanostrutturati" Principal Investigator.: Prof. D. Gatteschi
1999 (2 yrs)	As Partecipant to 1999/PRIN Prot. 9903104775 - "Proprieta' MagneticheNanostrutturati". Principal Investigator.: Prof. D. Gatteschi
2000 (2 yrs)	As Partecipantto2000/PRIN Prot. MM03032478_005 - "Caratterizzazione Magnetica di Solidi Supramolecolari". Principal Investigator.: Prof. A. Caneschi
2001 (2 yrs)	As Partecipantto PRIN Prot. 2001038849 - "Materiali Magnetici e per Ottica Non Lineare: dalle Molecole alle Nano Strutture". Principal Investigator.: Prof. D. Gatteschi
2003 (2 yrs)	As Partecipantto PRIN Prot. 2003039323 - "Proprietà di Singole Molecole ed Architetture Molecolari Funzionali Supportate: Caratterizzazione Chimico-Fisica, Sviluppo di Sintesi Chimiche e di Sistemi per l'Indagine". Principal Investigator.: Prof. D. Gatteschi
2008 (2 yrs)	As Partecipant to PRIN Prot. 2008FZK5AC - "Strutture molecolari e nanocristalline con funzionalità magnetiche, foto-magnetiche e foto-emettitrici e loro organizzazione su superfici, in film polimerici o in sol-gel". Principal Investigator: Prof. D. Gatteschi
2003 (4 yrs)	As Partecipant to FIRB RBNE033KMA_002- "Composti Molecolari e Materiali Ibridi Nanostrutturati con Proprietà Ottiche Risonanti e non Risonanti per Dispositivi Fotonici". Principal Investigator.: Prof. D. Gatteschi
2011 (4 yrs)	As Partecipant to FIRB(Accordi negoziali) RBAP117RWN_001 - "Nanomagneti molecolari su superfici metalliche e magnetiche per applicazioni nella spintronica molecolare". Principal Investigator.: Prof. R. Sessoli
2008 (3 yrs)	As Partecipant to Information and Communication Technologies (FP7-ICT-2007-C-211284): "MOLSPINQIP, Molecular Spin Clusters for Quantum Information Processing". Principal Investigator.: Prof. D. Gatteschi
2008 (4 yrs)	As Partecipant to Marie Curie Research Training Network (MRTN-CT-2003-504880): "QUEMOLNA, Quantum Effects in MOLecular Nanomagnets". Principal Investigator.: Prof. D. Gatteschi
2011 (4 yrs)	Partecipante all'ERC Advanced Grant (FP7-IDEAS-ERC-267746): "MolNanoMas, Molecular Nanomagnets at Surfaces: Novel Phenomena for Spin-based Technologies". Coordinatore: Prof. R. Sessoli
2005 (5 yrs)	As Partecipant al Network of Excellence (FP6, NMP-3-CT-2005-515767):"MAGMANet, Molecular Approach to Nanomagnets and Multifunctional Materials". Principal Investigator.: Prof. D. Gatteschi
2009 (1 yr)	Co-Principal Investigator of Distributed European Infrastructure for Supercomputing Applications (DECI-4, DEISA Extreme Computing Initiative): "AMNOS, Addressing Molecular Nanomagnets On Surfaces". 400K processor(-core)-hours on IBM BG/P (equivalent funding of about 20K euro) Co-Principal Investigator.: V. Bellini
2010 (1 yr)	As Partecipant to the Distributed European Infrastructure for Supercomputing Applications (DECI-5, DEISA Extreme Computing Initiative): "QUNA, Quantum phenomena in molecular-based nanomagnets". 500K processor(-core)-hours on IBM SP6. Principal Investigator.: Prof. G. Kamienarz
2012 (1 yr)	As Partecipant to the Partnership for Advanced Computing in Europe, PRACE (DECI-7, Tier-1): "SIMONA, Quantum phenomena in molecular-based nanomagnets". 300K processor(-core)-hours on IBM SP6. Principal Investigator.: Prof. G. Kamienarz
2012 (1 yr)	Principal Investigator of the Partnership for Advanced Computing in Europe, PRACE (Tier-0): "DySMoMAu, Dynamics of Single Molecular Magnets grafted on Gold Surface". 30M processor(-core)-hours on FERMI (equivalent to a financement of 300K Euro for computational time cost).
2010 (1 yr)	Principal Investigator of the Italian SuperComputing Resource Allocation, ISCRA (Class B projects): "Gold-SMM, Atomistic structure of [Mn6] single molecule magnets on Au(111)", 100K processor(-core)-hours on IBM SP6 (equivalent to a financement of 10K Euro for computational time cost).
2011 (1 yr)	Principal Investigator of the Italian SuperComputing Resource Allocation, ISCRA (Class B projects):"SSMoGOLD, The {FeIII4} SMM grafted on Au(111): Exploring PES for an optimum candidate", 150K processor(-core)-hours on IBM SP6 (equivalent to a financement of 15K Euro for computational time cost).
2012 (1 yr)	Principal Investigator of the Italian SuperComputing Resource Allocation, ISCRA (Class A projects): "SMM-oM, A step forward to future devices: DFT simulations of SMM on Manganites", 700K processor(-core)-hours on IBM SP6 (equivalent to a financement of 70K Euro for computational time cost).
2015 (1 yr)	Principal Investigator of the Italian SuperComputing Resource Allocation, ISCRA (Class A projects): “ACTFeGo2, Assessment of Chemical Tailoring of a {Fe4} series on Gold”, 5.5M processor(-core)-hours on FERMI (equivalent to a financement of 75K Euro for computational time cost).
2019 (1 yr)	Principal Investigatorto the Partnership for Advanced Computing in Europe, PRACE (DECI-15, Tier-1): "ToQTS, toward QBits through Tunable Spin-Superconductor Coupling in ordered Vanadyl-Phthalocyanine Molecules on Pb(111)". 405K processor(-core)-hours.

Referee Activity
Journals:
Wiley–VCH	Angewandte Chemie, Chemistry – An European Journal, Chinese Journal of Chemistry
RCS	Chemical Communications, Chemical Physics and Physical Chemistry, Nanoscale, RSC Advances, CrystEngCom, Inorganic Chemistry Frontiers
ACS	Journal of American Chemical Society, Inorganic Chemistry, Journal* of Chemical Theory and Computation, Langmuir, Journal of Physical Chemistry, ACS Omega*
Elsevier	Chemical Physics Letters, Inorganica Chimica Acta,Surface Science, Helyion
NPG	Nature Communications
APS	Physical Review B, Physical Review Letters
AIP	Journal of Applied Physics
National Institutions:
ISCRA	Italian SuperComputing Resource Allocation
INSTM	Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali
VQR	Valutazione della Qualità della Ricerca
European Institutions:
PRACE	Partnership for Advanced Computing in Europe (EU)
DFG	German Research Foundation (Germany)
UEFISCDI	The Executive Agency for Higher Education, Research, Development and Innovation Funding (Romania)
NCN	National Science Centre (Narodowe Centrum Nauki) (Poland)

Istitutional Roles
2010-2013	Member of the Council of Chemistry Department
10/2010-10/2014 10/2016-today	Member of the Scientific Board of Doctorate School in Chemical Science of Università degli Studi di Firenze
2018-today	Member of the “High Perfomance Computing” commitee for the Università degli Studi di Firenze

Conferences Scientific Committees
9/2013	Member of the Scientific Program Committee of Minisymposium on HPC Applications in Physical Sciencesof the 10^th International Conference on Parallel Processing and Applied Mathematics PPAM 2013, Warsaw (Poland)
9/2015	Member of the Scientific Program Committee of Minisymposium on HPC Applications in Physical Sciences of the 11^th International Conference on Parallel Processing and Applied Mathematics PPAM 2015, Warsaw (Poland)
9/2017	Member of the Scientific Program Committee of Minisymposium on HPC Applications in Physical Sciences of the 12^th International Conference on Parallel Processing and Applied Mathematics PPAM 2017, Lublin (Poland)
9/2019	Member of the Scientific Program Committee ofMinisymposium on HPC Applications in Physical Sciences of the 12^th International Conference on Parallel Processing and Applied Mathematics PPAM 2019, Byalistok (Poland)
09/2019	Member of the Organizing and Scientific Program Committee of the 6th European Conferenceon Molecular Magnetism (ECMM 2019), Florence (Italy)
02/2021	Co-Chair of National Conference MAGNET 2021, Florence (Italy)

Editoral Roles
2017-	Member of the Editorial Board of of “Magnetism and Magnetic Materials Research” (MMMR)

Teaching and didactic activities
2000/01, 2002/03-2005/06	Assistant to the Chemistry Course (Prof. Mani, Facoltà di Ingegneria of Florence)
1/9/2001-28/2/2002	Co-author of the project ”Innovazione Didattica 2000: Corso Multimediale di Chimica” of Università of Florence
1995-2015	Invited to 6 Schools (3 national and 3 international): 3 as lecturer and 3 as lecturer's assistant
05-06/2005	Hold a “Chemistry” course for a Professional Course on Landfill management ( Faculty of Engeneering )
06-07/2005 06-07/2006	Hold a course “Informatic Applications” for Professional “EExpert in quality management systems in the food industry : Evaluation and audit according to IFS and BRC” (Faculty of Pharmacy)
2006/07	Assistant to the Course of Lab. of General Chemistry I
2006/07 – 20012/13	Assistant to the Course of Lab. of Inorganic Chemistry I
10/2009 -	Hold courses: ELECTRONIC STRUCTURE AND MOLECULAR PROPERTIES, Module B (2009 – today) 3 Credits Master Degree course in CHEMICAL SCIENCES (B088) Curriculum CHEMICAL STRUCTURE, DYNAMICS and REACTIVITY (D20) COMPUTATIONAL INORGANIC CHEMISTRY (2009) 6 Credits Master Degree course in SCIENZE CHIMICHE (B088) Curriculum CHEMICAL STRUCTURE, DYNAMICS and REACTIVITY(D20) CHEMISTRY, Module B (2014 – today) 3 Credits Bachelor Degree course in PHYSICS and ASTROPHYSICS (B030) CHEMISTRY, Module B (2017) 2 Credits Master Degree course in CHEMISTRY and PHARMACEUTICAL TECHNOLOGIES CHEMISTRY & STOICHIOMETRY, (2018 – today) 6 Credits Bachelor Degree course in APPLIED PHARMACEUTICAL SCIENCES and QUALITY CONTROL
2012/13 –	School of Doctorate in Chemical Sciences Course: “Orbital Interactions in Chemistry” 3 Credits
2004 -	Tutorof 4 e co-Tutorof 3 thesisof Master Degree Thesis in CHEMICAL SCIENCES Tutor of 1 Doctoral Thesis in Materials and Technology Sciences. Tutor of 6Doctoral thesis of School of Doctorate in Chemical Sciences 3 of them in cotutela with University of Rennes 1 (France), with Università Federal Fluminense di Rio de Janeiro (Brasil), and with University of Otago (New Zealand).

Facilities

The access to National and European HPC (High Performance Computing) infrastructures has been guaranteed since 2009 by funding research projects of high impact in Europe and approved through peer review procedures (ISCRA, DECI, and PRACE).
F. Totti also has exclusive access to local HPC resources consisting of two Clusters Linux - Infiniband ( 80 cores on 11 nodes [ 2002 and updated in 2009], 548 cores on 24 nodes [2012 and updated 2014]), for which he personally took care of the hardware and software configuration. F. Totti has the direct management of both of them.

Federico Totti'sfields of research:

Application of molecular orbital theory in the Hartee-Fock and Kohn-Sham approximation for the study of reaction mechanisms of transition metal compounds in the gas-phase or on surface .

Using QM / MM  approaches for the description of the reaction mechanisms in proteins containing transition metals

Using approaches post-HF and DFT for the description of excited states and magnetic interactions in poly-nuclear complexes containing organic radicals and / or metals of the First and Second Series of Transition , as well as Lanthanides .

Structural Characterization and Interpretation of Magneto-Spectroscopic Properties of Polynuclear Complexescontaining  Transition Metals of the First and Second Series.

Development of Force Fields is for Isolated and Extended Systems.
Characterization by P-DFT methods of structural, electronic and magnetic interactions between surfaces and magnetic substrates
Applications of the ab initio molecular dynamics for the study of reactivity of the structural/magnetic evolution of single-molecule magnets on surfaces.

Federico TOTTI

Federico TOTTI

Federico TOTTI

Federico TOTTI

Federico TOTTI

Federico TOTTI

Federico TOTTI

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Federico TOTTI

Insegnamenti relativi all'Anno Accademico