The gas-phase acidity
(free energy of deprotonation, ΔG) of H3PO4, orthophosphoric acid, was determined both experimentally and theoretically for the first time. Ion-molecule bracketing experiments yielded the result 1372 kJ mol−1>ΔG(H3PO4)>1331 kJ mol−1. The most reliable theoretical result, ΔGH(H3PO4)=1343 kJ mol−1, is in agreement with experiment and was obtained using Brueckner methods with large basis sets.
- 1. E. M. Kirschner, Chem. Eng. News 74, 16 (1996). Google Scholar
- 2. J. E. Bartmess and R. T. McIver, Jr., in Gas Phase Ion Chemistry, edited by M. T. Bowers (Academic, New York, 1979), Vol. 2, pp. 87–121. Google Scholar
- 3. R. G. Keesee and A. W. Castleman, Jr., J. Am. Chem. Soc. 111, 9015 (1989). Google Scholar
- 4. A. A. Viggiano, R. A. Morris, F. Dale, J. F. Paulson, K. Giles, D. Smith, and T. Su, J. Chem. Phys. 93, 1149–1157 (1990). Google Scholar
- 5. J. E. Bartmess, NIST Negative Ion Energetics Database (National Institute for Standards and Technology, Gaithersburg, 1990). Google Scholar
- 6. M. Meot-Ner, in Gas Phase Ion Chemistry, edited by M. T. Bowers (Academic, New York, 1979), Vol. 1, p. 197. Google Scholar
- 7. P. M. Hierl, A. F. Ahrens, M. Henchman, A. A. Viggiano, J. F. Paulson, and D. C. Clary, J. Am. Chem. Soc. 108, 3140 (1986). Google Scholar
- 8. Y. Ikezoe, S. Matsuoka, M. Takebe, and A. A. Viggiano, Gas Phase Ion-Molecule Reaction Rate Constants Through 1986 (Maruzen Company, Ltd., Tokyo, 1987), and references therein. Google Scholar
- 9. T. H. Dunning and P. J. Hay, in Modern Theoretical Chemistry, edited by H. F. Schaefer III (Plenum, New York, 1977), Vol. 3, p. 1. Google Scholar
- 10. M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Oritz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. DeFrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, GAUSSIAN 94, Revision C. 3, Gaussian, Inc., Pittsburgh, PA, 1995. Google Scholar
- 11. T. H. Dunning, J. Chem. Phys. 55, 716 (1971). Google Scholar
- 12. A. D. McLean and G. Chandler, J. Chem. Phys. 72, 5639 (1980). Google Scholar
- 13. A. D. Becke, J. Chem. Phys. 98, 1372 (1993). Google Scholar
- © 1997 American Institute of Physics.
Please Note: The number of views represents the full text views from December 2016 to date. Article views prior to December 2016 are not included.