Experimental determination of the gas phase proton affinities of the conjugate base anions of 2-iodoxybenzoic acid (IBX) and 2-iodosobenzoic acid (IBA)
Organic & Biomolecular Chemistry2008Vol. 6(14), pp. 2530–2530
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Tom Waters, J. J. K. Boulton, Timothy Clark, Michael Gallen, Craig M. Williams, Richard A. J. O’Hair
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.
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