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Statements

Subject Item
n2:RIV%2F61388955%3A_____%2F03%3A54030036%21RIV%2F2004%2FAV0%2FA54004%2FN
rdf:type
n14:Vysledek skos:Concept
dcterms:description
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. 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.
dcterms:title
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 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
skos:prefLabel
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 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
skos:notation
RIV/61388955:_____/03:54030036!RIV/2004/AV0/A54004/N
n4:strany
4580;4592
n4:aktivita
n5:Z n5:P
n4:aktivity
P(OC D14.20), Z(AV0Z4040901)
n4:cisloPeriodika
15
n4:dodaniDat
n15:2004
n4:domaciTvurceVysledku
n17:3953084 n17:1080873
n4:druhVysledku
n12:J
n4:duvernostUdaju
n8:S
n4:entitaPredkladatele
n16:predkladatel
n4:idSjednocenehoVysledku
611199
n4:idVysledku
RIV/61388955:_____/03:54030036
n4:jazykVysledku
n18:eng
n4:klicovaSlova
resonance-Raman-spectra; H bond activation; diimine complexes
n4:klicoveSlovo
n9:resonance-Raman-spectra n9:diimine%20complexes n9:H%20bond%20activation
n4:kodStatuVydavatele
US - Spojené státy americké
n4:kontrolniKodProRIV
[0711CEBEBB58]
n4:nazevZdroje
Journal of the American Chemical Society
n4:obor
n6:CF
n4:pocetDomacichTvurcuVysledku
2
n4:pocetTvurcuVysledku
3
n4:pocetUcastnikuAkce
0
n4:pocetZahranicnichUcastnikuAkce
0
n4:projekt
n13:OC%20D14.20
n4:rokUplatneniVysledku
n15:2003
n4:svazekPeriodika
125
n4:tvurceVysledku
Záliš, Stanislav Vlček jr., Antonín Farrell, I.
n4:zamer
n10:AV0Z4040901
s:issn
0002-7863
s:numberOfPages
13