Experimental determination of the gas phase proton affinities of the conjugate base anions of 2-iodoxybenzoic acid (IBX) and 2-iodosobenzoic acid (IBA)

Abstract

The gas phase anion proton affinities of the periodinane anions IBX⁻ and IBA⁻ were examined using mass spectrometry-based experiments, and estimated as 1300 ± 25 and 1390 ± 10 kJ mol⁻¹, respectively. The experimental results were supported by theoretical calculations, which yielded proton affinities of 1336 and 1392 kJ mol⁻¹ for IBX⁻ and IBA⁻ respectively, at the B3LYP/aug-cc-PVDZ level of theory.