0181146 - UFCH-W 20010054 RIV CH eng J - Journal Article
Farrell, I. R. - Slageren van, J. - Záliš, Stanislav - Vlček, Antonín
Time-resolved Emission Spectra and TD-DFT Excited-state Calculations of [W(CO)₄(1,10-phenanthroline)] and [W(CO)₄(3,4,7,8-tetramethyl-1,10-phenanthroline)].
Inorganica chimica acta. Roč. 315, č. 1 (2001), s. 44-52. ISSN 0020-1693. E-ISSN 1873-3255
R&D Projects: GA MŠMT OC D14.20
Institutional research plan: CEZ:AV0Z4040901
Keywords : phenanthroline * carbonyl * charge transfer
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.394, year: 2001

Combined experimental and theoretical investigations show that the multiple emission from [W(CO)₄(1,10-phenanthroline)] and [W(CO)₄(3,4,7,8-tetramethyl-1,10-phenanthroline)] occurs from several MLCT excited states which originate in W-phen and W-CO excitations, respectively. Ligand-field excited states are not involved, lying at higher energies. Methylation of the phenanthroline ligand prolongs emission lifetimes but does not change the characters of the emissive states, despite the change in LUMO.
Permanent Link: http://hdl.handle.net/11104/0077741