Crystal structure of 2,6-di(2-thienyl)-4-phenylpyrylium perchlorate: A comparison with theory

Authors
Duran, CN Rezende, MC Vencato, I Neves, A
Citation
Cn. Duran et al., Crystal structure of 2,6-di(2-thienyl)-4-phenylpyrylium perchlorate: A comparison with theory, J CHEM R-S, (11), 1998, pp. 698-699
Citations number
24
Categorie Soggetti
Chemistry
Journal title
JOURNAL OF CHEMICAL RESEARCH-S
ISSN journal
03082342 → ACNP
Issue
11
Year of publication
1998
Pages
698 - 699
Database
ISI
SICI code
0308-2342(199811):11<698:CSO2PA>2.0.ZU;2-F
Abstract
The crystal structure of the title compound is presented and the obtained p arameters are compared with parameters from semiempirical (AM1 and PM3) and ab initio (B3LYP/6-311G) calculations.