NMR ISOTOPE SHIFTS IN THE 2-METHYL-2-BICYCLO[2.1.1]HEXYL CATION AND RELATED SYSTEMS

Authors
FORSYTH DA PANYACHOTIPUN C
Citation
Da. Forsyth et C. Panyachotipun, NMR ISOTOPE SHIFTS IN THE 2-METHYL-2-BICYCLO[2.1.1]HEXYL CATION AND RELATED SYSTEMS, Research of chemical intermediates, 22(8), 1996, pp. 725-735
Citations number
23
Categorie Soggetti
Chemistry
Journal title
Research of chemical intermediates → ACNP
ISSN journal
09226168
Volume
22
Issue
8
Year of publication
1996
Pages
725 - 735
Database
ISI
SICI code
0922-6168(1996)22:8<725:NISIT2>2.0.ZU;2-Z
Abstract
NMR isotope shifts at C-13 nuclei due to deuteriation in the 2-methyl- 2-bicyclo[2.1.1]hexyl cation are reported. Comparisons are made to the 2-methyl-2-bicyclo[2.2.1]heptyl and 2-methyl-2-bicyclo[2.2.2]octyl ca tions, and also to neutral molecules containing the bicyclo[2.1.1]hexy l framework. The combination of isotope effects with temperature depen dence of C-13 chemical shifts allows predictions of the shapes of the energy surfaces along the bending coordinate corresponding to bridging in these cations.