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Issue 14, 2008
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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)

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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.

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

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Publication details

The article was received on 05 Mar 2008, accepted on 15 Apr 2008 and first published on 19 May 2008


Article type: Paper
DOI: 10.1039/B803452D
Citation: Org. Biomol. Chem., 2008,6, 2530-2533
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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)

    T. Waters, J. Boulton, T. Clark, M. J. Gallen, C. M. Williams and R. A. J. O'Hair, Org. Biomol. Chem., 2008, 6, 2530
    DOI: 10.1039/B803452D

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