Electronic origin of the structural versatility in linear trichromium complexes of dipyridylamide

Authors
Benbellat, N Rohmer, MM Benard, M
Citation
N. Benbellat et al., Electronic origin of the structural versatility in linear trichromium complexes of dipyridylamide, CHEM COMMUN, (22), 2001, pp. 2368-2369
Citations number
12
Categorie Soggetti
Chemistry
Journal title
CHEMICAL COMMUNICATIONS
ISSN journal
13597345 → ACNP
Issue
22
Year of publication
2001
Pages
2368 - 2369
Database
ISI
SICI code
1359-7345(2001):22<2368:EOOTSV>2.0.ZU;2-L
Abstract
Spin unrestricted DFT calculations on Cr-3( dpa)(4)Cl-2 (dpa = dipyridylami de) suggest that the linear (Cr-3)(6+) metal framework could adopt either a symmetric conformation, or a strongly nonsymmetric one, depending on the n ature of the spin coupling between the localized metal electrons.