Original scientific paper

Structure, Dynamics and Vibrational Spectra of α-Chloroallyl Cations in Solid SbF₅-Matrices

Hrvoj Vančik ; University of Zagreb, Faculty of Science, Department of Chemistry, Strossmayerov trg 14, 10000 Zagreb, Croatia
Zlatko Mihalić ; University of Zagreb, Faculty of Science, Department of Chemistry, Strossmayerov trg 14, 10000 Zagreb, Croatia
Davor Kiđemet ; University of Zagreb, Faculty of Science, Department of Chemistry, Strossmayerov trg 14, 10000 Zagreb, Croatia

Abstract

Cis- and frans-α-chloroallyl cations were prepared by matrix isolation method in solid SbF₅ matrix, and obtained FT-IR spectra compared with the results of high-level ab-initio calculations. Ionization of either cis- or trans-1,3-dichloropropenes lead to the mixture of cis- and trans-cations, whose interconversion barrier is smaller than for parent allyl cation. The extent of a-chlorine carbocation stabilization was shown to be comparable to that obtained by methyl group. Additionally, the ionization constant of chloro- propenes in the solid SbF₅ matrix was measured for the first time.

Keywords

Hrčak ID:

135987

URI

https://hrcak.srce.hr/135987

Publication date:

2.12.1996.

Visits: 974 *