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Vibrational spectra of C 4 H 7 + isomers in low‐temprature antimony pentafluoride matrices
Author(s) -
Vančik H.,
Gabelica V.,
Sunko D. E.,
Buzek P.,
v. R. Schleyer P.
Publication year - 1993
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.610060708
Subject(s) - chemistry , delocalized electron , ion , antimony , chloride , spectral line , infrared spectroscopy , computational chemistry , inorganic chemistry , organic chemistry , physics , astronomy
The IR spectra of isomeric bicyclobutonium (1), delocalized cyclopropylcarbinyl (2) and 1‐methylally (3) cations were recorded at 180 K in SbF 5 matrices. Cations 1 and 2 generated from cyclopropylcarbinyl and cyclobutyl chloride, respectively, rearrange to 3 at temperatures above 230 K. The structures 1, 2 and 3 were confirmed by comparison of the recorded frequencies with the MP2/6–31G*‐calculated values. These results are in accord with prediction that ions 1 and 2 are rapidly equilibrating non‐classical structures.