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Transition state structure and isotope effects in unimolecular hydrogen elimination from carbocations

✍ Scribed by Vincenzo Barone; Nadia Bianchi; Francesco Lelj

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
342 KB
Volume
98
Category
Article
ISSN
0009-2614

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✦ Synopsis

l unimolecul-ar hydrogen eliminations from carbocations are currently interpreted in terms of a concerted mechanii in which two C-H bonds are synchronously stretched. Here we show, through MNDO and RR-1 computations, that the available experimental data are compatible with all the reaction mechanisms in which both the C-H bonds are signiticantly distorted in the transition state, irrespective of the synchronous or non-synchronous character of the reaction.

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The kinetics of the gas phase intramolecular elimination of isobutene from 2-d1-triisobutylaluminum and the deuterium isotope effect in reactions involving cyclic transition states
✍ Kurt W. Egger πŸ“‚ Article πŸ“… 1969 πŸ› John Wiley and Sons 🌐 English βš– 654 KB

The intramolecular elimination of isobutene from 2-d,-triisobutylaluminum has been studied in the gas phase for temperatures ranging between 102.4 and 184.6'C. The reaction is apparently homogeneous and obeys the first order rate law, yielding the following Arrhenius relationship: log kelim (sec-')