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Vibrational Spectra of C4H7+ Isomers in Low-Temperature Antimony Pentafluoride Matrices

The IR spectra of isomeric bicyclobutonium(1), delocalized cycloproylcarbinyl (2) and 1-methylallyl (3) cations were recorded at 180 K in SbF5 matrices. Cations 1 and 2 generated from cyclopropylcarbinyl and cyclobutyl chlorid, respectively, rearrange to 3 at temperatures above 230 K. The structures 1, 2 and 3 were confirmed by comparison of the recorded frequencies with MP2/6-31G*-calculateed values. These results are in accord with prediction that ions 1 and 2 are rapidly equilibrating non-classical structures.

Antimony Pentafluoride Matrices; bicyclobutonium cation; cyclopropylcarbinyl cation; 1-methylallyl; vibrational spectra

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