Theoretical study on the structure and spectra of C-60-TTF Cyclohexene-Fused Dyads

Authors
Zhang, SQ Feng, JK Ren, AM Fu, W Li, YX
Citation
Sq. Zhang et al., Theoretical study on the structure and spectra of C-60-TTF Cyclohexene-Fused Dyads, CHEM J CH U, 22(6), 2001, pp. 987-990
Citations number
15
Categorie Soggetti
Chemistry
Journal title
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN journal
02510790 → ACNP
Volume
22
Issue
6
Year of publication
2001
Pages
987 - 990
Database
ISI
SICI code
0251-0790(200106)22:6<987:TSOTSA>2.0.ZU;2-S
Abstract
A total of eight molecules of C-60-TTF Cyclohexene-Fused Dyads was investig ated by ZINDO series methods. The stable structure and electronic spectra w ere studied. The results suggested that the calculated electronic spectra t he studied molecule were consistent well with those from the experiment. Th e calculated results have been explained micromechanically.