Collect. Czech. Chem. Commun. 2003, 68, 89-104
doi:10.1135/cccc20030089
The Character of Low-Lying Excited States of Mixed-Ligand Metal Carbonyls. TD-DFT and CASSCF/CASPT2 Study of [W(CO)4L] (L = ethylenediamine, N,N'-dialkyl-1,4-diazabutadiene) and [W(CO)5L] (L = pyridine, 4-cyanopyridine)
Stanislav Záliša,*, Antonín Vlček, Jr.a,b and Chantal Danielc
a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, CZ-182 23 Prague, Czech Republic
b Department of Chemistry, Queen Mary, University of London, Mile End Road, London E1 4NS, United Kingdom
c Laboratoire de Chimie Quantique, UMR 7551 CNRS/Université Louis Pasteur, Institut Le Bel, 4 Rue Blaise Pascal, F-67 000 Strasbourg, France
CrossRef Cited-by Linking
- Makedonas Christodoulos, Mitsopoulou Christiana A.: W(CO)4(diimine) Structure Revised – Correlating Structure to π* Back-Bonding. Eur J Inorg Chem 2007, 2007, 110. <doi:10.1002/ejic.200600670>
- Makedonas Christodoulos, Veroni Irene, Mitsopoulou Christiana A.: Pentacarbonyl[2-(2′-pyridyl)quinoxaline-κN4]tungsten: A Combined Study of Its Conformational and Electronic Structure Based on Experimental and DFT-TDDFT Data. Eur J Inorg Chem 2007, 2007, 120. <doi:10.1002/ejic.200600677>
- Vlček Antonín, Záliš Stanislav: Modeling of charge-transfer transitions and excited states in d6 transition metal complexes by DFT techniques. Coord Chem Rev - 2007, 251, 258. <doi:10.1016/j.ccr.2006.05.021>
