Experimental determination of the gas phase proton affinities of the conjugate base anions of 2-iodoxybenzoic acid (IBX) and 2-iodosobenzoic acid (IBA).
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.
Waters
Tom
T
School of Chemistry and Bio21 Institute of Molecular Science and Biotechnology, The University of Melbourne, Victoria 3010, Australia.
Boulton
Jack
J
Clark
Timothy
T
Gallen
Michael J
MJ
Williams
Craig M
CM
O'Hair
Richard A J
RA
D000838:Anions / Q000737:chemistry; D005740:Gases / Q000737:chemistry*; D007462:Iodobenzenes; D007463:Iodobenzoates / Q000737:chemistry*; D007700:Kinetics; D013058:Mass Spectrometry; D011522:Protons
D000838:Anions; D005740:Gases; D007462:Iodobenzenes; D007463:Iodobenzoates; D011522:Protons; C008154:2-iodosobenzoic acid; C476101:o-iodoxybenzoic acid