Theoretical analysis of the electronic absorption spectra of the Co-2(CO)(6)C2RR* clusters

Authors
Klyagina, AP Kotov, VY Gorel'skii, SI Gubin, SP
Citation
Ap. Klyagina et al., Theoretical analysis of the electronic absorption spectra of the Co-2(CO)(6)C2RR* clusters, RUSS J C CH, 25(8), 1999, pp. 576-578
Citations number
24
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
RUSSIAN JOURNAL OF COORDINATION CHEMISTRY
ISSN journal
10703284 → ACNP
Volume
25
Issue
8
Year of publication
1999
Pages
576 - 578
Database
ISI
SICI code
1070-3284(199908)25:8<576:TAOTEA>2.0.ZU;2-Z
Abstract
The electronic absorption spectrum of the Co-2(CO)(6)C2R2 (R = CH3) cluster was calculated by the ZINDO/S method. The results are in satisfactory agre ement with the experimental absorption and circular dichroism (CD) spectra of the Co-2(CO)(6)C2RR* clusters. Band assignment is carried out for two lo ng-wavelength bands in the absorption and CD spectra of these clusters.