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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| Authors: | Waters Tom Boulton Jack Clark Timothy Gallen Michael J Williams Craig M O'Hair Richard A J |
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| Institution: | School of Chemistry and Bio21 Institute of Molecular Science and Biotechnology, The University of Melbourne, Victoria 3010, Australia. |
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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. |
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