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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


Puni tekst: engleski pdf 8.476 Kb

str. 1511-1520

preuzimanja: 345

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Sažetak

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.

Ključne riječi

Hrčak ID:

135987

URI

https://hrcak.srce.hr/135987

Posjeta: 527 *