Citation
Sp. Solodovnikov et al., ESR spectra and electronic structure of the C-120(center dot+) radical cation and the paramagnetic C120O2+ dication and C120O2- dianion, RUSS CHEM B, 48(7), 1999, pp. 1246-1249
Citations number
16
Categorie Soggetti
Chemistry
Journal title
RUSSIAN CHEMICAL BULLETIN
ISSN journal
10665285
→ ACNP
Volume
48
Issue
7
Year of publication
1999
Pages
1246 - 1249
Database
ISI
SICI code
1066-5285(199907)48:7<1246:ESAESO>2.0.ZU;2-W
Abstract
Electronic structure of the C-120(.+) radical cation and the paramagnetic C
120O2+ dication and C120O2- dianion in the triplet state was calculated by
the MNDO/PM3 method in the valence approximation. The density distributions
of the unpaired electrons in these systems were Found and the ESR spectra
of the above species were interpreted.