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Experimental Determination of the Gas Phase Proton Affinities of the Conjugate Base Anions of 2-iodoxybenzoic Acid (IBX) and 2-iodosobenzoic Acid (IBA)

Tom Waters, Jack Boulton, Timothy Clark, Michael J Gallen, Craig M Williams, Richard A J O'Hair

Org Biomol Chem. 2008 Jul 21;6(14):2530-3.

PMID: 18600274

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.

Chemicals Related in the Paper:

Catalog Number Product Name Structure CAS Number Price
AP304916 2-Iodosobenzoic acid 2-Iodosobenzoic acid 304-91-6 Price
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