Gas-phase ion equilibria studies of protons and chloride ions in propanol and acetone

Abstract

The gas-phase clustering reactions of proton in propanol and acetone, and chloride ions in acetone were investigated. The −Δ H n−1, n values obtained for clustering reactions ( n−1, n) were as follows: H + (C 3H 7OH) n−1 + C 3H 7OH ⇄ H + (C 3H 7OH) n , (2, 3) 18.9 kcal mol −1, (3, 4) 14.2 kcal mol −1, (4, 5) 11.7 kcal mol −1; H + (CH 3COCH 3) 2 + CH 3COCH 3 ⇄ H + (CH 3COCH 3) 3, 14.2 kcal mol −1; and Cl − + CH 3COCH 3 ⇄ Cl − (CH 3COCH 3), 12.4 kcal mol. −1. For clustering reactions, Cl − (CH 3COCH 3 n−1 + CH 3COCH 3 ⇄ Cl − (CH 3COCH 3) n where n ≥ 2, the equilibria could not be established; probably due to the isomerization of ligand acetone molecules from the keto to enol form.