"The Involvement of Metal-to-CO Charge Transfer and Ligand-Field Excited States in the Spectroscopy and Photochemistry of Mixed-Ligand Metal Carbonyls. A Theoretical and Spectroscopic Study of [W(CO)4(1,2-Ethylenediamine)] and [W(CO)4 (N,N''-Bis-alkyl-1,4"@en . "Journal of the American Chemical Society" . . . "13"^^ . . "The Involvement of Metal-to-CO Charge Transfer and Ligand-Field Excited States in the Spectroscopy and Photochemistry of Mixed-Ligand Metal Carbonyls. A Theoretical and Spectroscopic Study of [W(CO)4(1,2-Ethylenediamine)] and [W(CO)4 (N,N''-Bis-alkyl-1,4" . . "15" . . "The Involvement of Metal-to-CO Charge Transfer and Ligand-Field Excited States in the Spectroscopy and Photochemistry of Mixed-Ligand Metal Carbonyls. A Theoretical and Spectroscopic Study of [W(CO)4(1,2-Ethylenediamine)] and [W(CO)4 (N,N''-Bis-alkyl-1,4" . "resonance-Raman-spectra; H bond activation; diimine complexes"@en . "Z\u00E1li\u0161, Stanislav" . . "P(OC D14.20), Z(AV0Z4040901)" . . "RIV/61388955:_____/03:54030036!RIV/2004/AV0/A54004/N" . "Vl\u010Dek jr., Anton\u00EDn" . . "RIV/61388955:_____/03:54030036" . . . . "0002-7863" . "A new interpretation of the electronic spectroscopy, photochemistry, and photophysics of group 6 metal cis-tetracarbonyls [M(CO)(4)L-2] is proposed, that is based on an interplay between M-->L and M-->CO MLCT excited states. TD-DFT and resonance Raman spectroscopy show that the lowest allowed electronic transition of [W(CO)(4)(en)] (en=1,2-ethylenediamine) has a W(COeq)(2)-->COax charge-transfer character, whereby the electron density is transferred from the equatorial W(COeq)(2) moiety to pi* orbitals of the axial CO ligands, with a net decrease of electron density on the W atom. The lowest, emissive excited state of [W(CO)(4)(en)] was identified as a spin-triplet W(COeq)(2)-->COax CT excited state both computationally and by picosecond time-resolved IR spectroscopy. This state undergoes 1.5 ps vibrational relaxation/solvation and decays to the ground state with a similar to160 ps lifetime."@en . "611199" . . "[0711CEBEBB58]" . "4580;4592" . . "Farrell, I." . "A new interpretation of the electronic spectroscopy, photochemistry, and photophysics of group 6 metal cis-tetracarbonyls [M(CO)(4)L-2] is proposed, that is based on an interplay between M-->L and M-->CO MLCT excited states. TD-DFT and resonance Raman spectroscopy show that the lowest allowed electronic transition of [W(CO)(4)(en)] (en=1,2-ethylenediamine) has a W(COeq)(2)-->COax charge-transfer character, whereby the electron density is transferred from the equatorial W(COeq)(2) moiety to pi* orbitals of the axial CO ligands, with a net decrease of electron density on the W atom. The lowest, emissive excited state of [W(CO)(4)(en)] was identified as a spin-triplet W(COeq)(2)-->COax CT excited state both computationally and by picosecond time-resolved IR spectroscopy. This state undergoes 1.5 ps vibrational relaxation/solvation and decays to the ground state with a similar to160 ps lifetime." . "The Involvement of Metal-to-CO Charge Transfer and Ligand-Field Excited States in the Spectroscopy and Photochemistry of Mixed-Ligand Metal Carbonyls. A Theoretical and Spectroscopic Study of [W(CO)4(1,2-Ethylenediamine)] and [W(CO)4 (N,N''-Bis-alkyl-1,4"@en . "125" . . "3"^^ . . "0"^^ . "0"^^ . . "2"^^ . . . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" .