Rearrangement of 1-Noradamantyl and 1-Adamantylcarbene to Bridgehead Alkenes: Lifetimes of Two Bridgehead Carbenes in Solution (original) (raw)

Journal of Physical Chemistry A, 2001

Abstract

B3LYP density functional calculations with the 6-31G* basis set predict that 3-noradamantylcarbene 7 rearranges to adamantene 9 and protoadmant-3-ene 10 over barriers of 0.35 and 7.84 kcal/mol, respectively, after zero-point energy correction. The ...

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