VIBRATIONAL-SPECTRA OF C4H7-TEMPERATURE ANTIMONY PENTAFLUORIDE MATRICES( ISOMERS IN LOW)

Authors
VANCIK H GABELICA V SUNKO DE BUZEK P SCHLEYER PV
Citation
H. Vancik et al., VIBRATIONAL-SPECTRA OF C4H7-TEMPERATURE ANTIMONY PENTAFLUORIDE MATRICES( ISOMERS IN LOW), Journal of physical organic chemistry, 6(7), 1993, pp. 427-432
Citations number
21
Categorie Soggetti
Chemistry Physical","Chemistry Inorganic & Nuclear
Journal title
Journal of physical organic chemistry → ACNP
ISSN journal
08943230
Volume
6
Issue
7
Year of publication
1993
Pages
427 - 432
Database
ISI
SICI code
0894-3230(1993)6:7<427:VOCAPM>2.0.ZU;2-4
Abstract
The IR spectra of isomeric bicyclobutonium (1), delocalized cyclopropy lcarbinyl (2) and 1-methylallyl (3) cations were recorded st 180 K in SbF5 matrices. Cations 1 and 2 generated from cyclopropylcarbinyl and cyclobutyl chloride, respectively, rearrange to 3 at temperatures abov e 230 K. The structures 1, 2 and 3 were confirmed by comparison of the recorded frequencies with the MP2/6-31G-calculated values. These res ults are in accord with prediction that ions 1 and 2 are rapidly equil ibrating non-classical structures.