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

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F03%3A54030036" target="_blank" >RIV/61388955:_____/03:54030036 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
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
Original language 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* orbitalsof 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-resolvedIR spectroscopy. This state undergoes 1.5 ps vibrational relaxation/solvation and decays to the ground state with a similar to160 ps lifetime.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
<a href="/en/project/OC%20D14.20" target="_blank" >OC D14.20: Oganometallic and Metallo-organic Building Blocks for Photonic Materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2003
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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