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Updated: May 15, 2026

Isolating Free Carbenes, their Mixed Dimers and Organic Radicals
Published on: April 19, 2019
Thermal rearrangement mechanisms in icosahedral carboranes and metallocarboranes
Isaac J Sugden1, David F Plant, Robert G Bell
1University College London, Chemistry Department, 20 Gordon Street, London, WC1H0AJ, UK.
Abstract:
Ab initio MD and potential energy surface sampling has been used to study the rearrangement processes in carboranes and their derivatives. A new mechanism is found, in addition to those previously proposed. The fact that theoretical activation energies are lower than those observed experimentally, and the differing activity of technetium and rhenium complexes, are rationalised by orbital symmetry constraints.
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