Activation parameters for chair–twist equilibration in 3,3,6,6-tetramethyl-1,2,4,5-tetrathian by direct thermal stereomutation and total nuclear magnetic resonance line-shape analysis

Abstract

Activation parameters (E_a, ΔG^‡, ΔH^‡, ΔS^‡) for the chair–twist process in 3,3,6,6-tetramethyl-1,2,4,5-tetrathian have been obtained from the direct equilibration of the pure twist conformer and from matching experimental n.m.r. spectra with theoretical spectra over an appropriate temperature range.