Theoretical study of 3-penten-2-one complexes of iron and chromium subgroup metals with various modes of the enone coordination

Authors
Kuramshin, AI Mushkin, VB Karpenko, EA Cherkasov, RA
Citation
Ai. Kuramshin et al., Theoretical study of 3-penten-2-one complexes of iron and chromium subgroup metals with various modes of the enone coordination, RUSS J G CH, 71(3), 2001, pp. 348-353
Citations number
18
Categorie Soggetti
Chemistry
Journal title
RUSSIAN JOURNAL OF GENERAL CHEMISTRY
ISSN journal
10703632 → ACNP
Volume
71
Issue
3
Year of publication
2001
Pages
348 - 353
Database
ISI
SICI code
1070-3632(200103)71:3<348:TSO3CO>2.0.ZU;2-Z
Abstract
The calculated parameters of the steric and electronic structure and shield ing constants of eta (2)- (3-penten-2-one)Fe(CO)(4), eta (2)-(3-penten-2-on e)M(CO)(5), eta (4)-(3-penten-2-one)Fe(CO)(3), and eta (4)-(3-penten-2-one) M(CO)(4) (M = Cr, Mo, W) nicely agree with the experiment. Coordination of the alpha -enone with transition metals significantly distorts the conjuga tion between the C=C and C=O bonds.