Original title: The Modeling of Spectral and Photochemical Properties of Diimine Transition Metal Carbonyl Complexes
Translated title: Modelování spektrálních a fotochemických vlastností diiminových karbonylových komplexů přechodových kovů s diiminy
Authors: Šebera, Jakub ; Záliš, Stanislav ; Vlček, Antonín
Document type: Papers
Conference/Event: Workshop 2005, Praha (CZ), 2005-03-21 / 2005-03-23
Year: 2005
Language: eng
Abstract: [eng] [cze]
The felxibility pf the coordination sphere of mixed valence carbonyl complexes enables to tune spectral and protochemical properties. The variety of excited states in ilustrated on Ru, Re and W mixed ligand carbonyl complexed. The lowest excited states of [W(CO)4L] and [W(CO)5L’] (L=N,N'-di-methyl-1,4-diazabutadiene, ethylenediamine, 2,2’-bipyridine, phenantroline; L’= pyridine, 4-CN-pyridine, piperidine) ckomplexes were found to be either W -> pi*(L) or W -> pi*(CO) in charakter, depending on the type of the heteroligands. Flexibilita koordinační sféry je ilustrována na Ru, Re a W karbonylových komplexech.Nejnižší excitované stavy [W(CO)4L] and [W(CO)5L’] (L=N,N'-di-methyl-1,4-diazabutadien, ethylenediamin, 2,2’-bipyridin, phenantrolin; L’= pyridin, 4-CN-pyridin, piperidin) komplexů byly charakterizovány jako W -> pí*(L) or W -> pí*(CO) v závislosti na typu hetero-ligandů.
Keywords: carbonyl complexes; density functional theory; spectra
Project no.: CEZ:AV0Z40400503 (CEP), 1ET400400413 (CEP)
Funding provider: GA AV ČR
Host item entry: Proceedings of Workshop 2005

Institution: J. Heyrovsky Institute of Physical Chemistry AS ČR (web)
Document availability information: Fulltext is available at the institute of the Academy of Sciences.
Original record: http://hdl.handle.net/11104/0017863

Permalink: http://www.nusl.cz/ntk/nusl-20823


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Conference materials > Papers