UV spectroscopic analysis of a substituted 1,2,4-trioxane molecule: theoretical and experimental study of cis-6-phenyl-5,6-(2-phenyl propyliden)-3,3-tetramethylen-1,2,4-trioxacyclohexane

Authors
Jubert, AH Castro, EA Cafferata, LFR
Citation
Ah. Jubert et al., UV spectroscopic analysis of a substituted 1,2,4-trioxane molecule: theoretical and experimental study of cis-6-phenyl-5,6-(2-phenyl propyliden)-3,3-tetramethylen-1,2,4-trioxacyclohexane, J MOL ST-TH, 503(3), 2000, pp. 165-172
Citations number
7
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
503
Issue
3
Year of publication
2000
Pages
165 - 172
Database
ISI
SICI code
0166-1280(20000530)503:3<165:USAOAS>2.0.ZU;2-F
Abstract
A theoretical and experimental study of cis-6-phenpl-5,6-(2-phenyl propylid en)-3,3-tetramethylen 1,2,4-trioxacyclohexane molecule was performed to loo k for their more stable conformations. This was accomplished considering th e corresponding UV-VIS spectrum obtained in n-hexane solution and making th e electronic band assignments on the basis of the molecular orbital picture . (C) 2000 Elsevier Science B.V. All rights reserved.