Coordination of dihydrogen to transition metal complexes: ab initio investigation of Cr(CO)5(H2) and Cr(CO)4(H2)2
β Scribed by Gianfranco Pacchioni
- Book ID
- 107811321
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 387 KB
- Volume
- 377
- Category
- Article
- ISSN
- 0022-328X
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π SIMILAR VOLUMES
by the molecular weight (determined cryoscopically in benzene) and the mass spectrum, ( ) is monomeric. The assignment of the substituents at the As=C double bond can be determined only by an X-ray structure analysis. Studies on models suggest the presence of Z isomers in which the aryl and the tri
Ab initio MO and DFT calculations have been performed on and triplet states, all complexes exhibit a staggered conformation. CASSCF/CASPT2 calculations performed with phosphinidene complexes of the type Cr(CO) 5 -PR, with R = H, CH 3 , SiH 3 , NH 2 , PH 2 , OH, and SH. The formation of the the ANO b