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. © The Royal Society of Chemistry 2008.