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

T. Waters, J. Boulton, Tim Clark, M. Gallen, C. Williams, R. O'Hair

Research output: Contribution to journalArticlepeer-review

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.
Original languageEnglish
Pages (from-to)2530-2533
Number of pages4
JournalOrganic & Biomolecular Chemistry
Volume6
Issue number14
DOIs
Publication statusPublished - 2008

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