MODELING OF PHOTOCHROMIC SPIROPYRANS AND SPIROOXAZINES BY MOLECULAR MECHANICS AND COMPARISON WITH EXPERIMENTAL-DATA

Authors
POTTIER E SAMAT A GUGLIELMETTI R SIRI D PEPE G
Citation
E. Pottier et al., MODELING OF PHOTOCHROMIC SPIROPYRANS AND SPIROOXAZINES BY MOLECULAR MECHANICS AND COMPARISON WITH EXPERIMENTAL-DATA, Bulletin des Societes chimiques belges, 101(3), 1992, pp. 207-213
Citations number
16
Journal title
Bulletin des Societes chimiques belges → ACNP
ISSN journal
00379646
Volume
101
Issue
3
Year of publication
1992
Pages
207 - 213
Database
ISI
SICI code
0037-9646(1992)101:3<207:MOPSAS>2.0.ZU;2-K
Abstract
With the help of molecular mechanics (program GenMol), suitable molecu lar geometries were obtained for photochromic spiropyrans and spirooxa zines to evaluate substituent effects on the spectroscopic and physico chemical properties. The results were compared to X-ray structures and used to explain relevant H-1 NMR data.