Equilibration of biadamantane isomers
Abstract
In agreement with molecular mechanics calculations, 2,2′-biadamantane (2) is more stable than 1,1′-biadamantane (1): (1)⇌(2), ΔGIo(298)=–0·51 ± 0·21 kcal mol–1, ΔHIo= 1·11 ± 0·12 kcal mol–1, and ΔSIo= 5·4 ± 0·3 cal deg–1 mol–1.