THE GAS-PHASE ACIDITY OF H3PO4

Citation
Ra. Morris et al., THE GAS-PHASE ACIDITY OF H3PO4, The Journal of chemical physics, 106(9), 1997, pp. 3545-3547
Citations number
13
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
106
Issue
9
Year of publication
1997
Pages
3545 - 3547
Database
ISI
SICI code
0021-9606(1997)106:9<3545:TGAOH>2.0.ZU;2-2
Abstract
The gas-phase acidity (free energy of deprotonation, Delta G(acid)(0)) of H3PO4, orthophosphoric acid, was determined both experimentally an d theoretically for the first time. Ion-molecule bracketing experiment s yielded the result 1372 kJ mol(-1) > Delta G(acid)(0)(H3PO4) > 1331 kJ mol(-1). The most reliable theoretical result, Delta G(acid)(0)(H3P O4) = 1343 kJ mol(-1), is in agreement with experiment and was obtaine d using Brueckner methods with large basis sets. (C) 1997 American Ins titute of Physics.