The barrier for geometrical isomerization of the title ion [ΔH‡= 11·9 kcal mol–1, ΔS‡=–4 cal mol–1 K–1(1 cal = 4·184 J), variable temperature n.m.r. spectrum 270 MHz] agrees with ab initio(4-31G) calculations for an inversion process (ΔEcalc= 12·0 kcal mol–1); the values computed for a rotation around the C+–O bond (20·8 kcal mol–1) or at the STO-3G level (25·2 and 32·8 kcal mol–1, respectively) are too high.
D. Fărcaşiu, J. J. O'Donnell, K. B. Wiberg and M. Matturro, J. Chem. Soc., Chem. Commun., 1979, 1124 DOI: 10.1039/C39790001124
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