The gas-phase acidities of the elemental hydrides are functions of electronegativity and bond length

Canadian Journal of Chemistry

Volumn 83, Issue 11, 2005, Pages 2005-2012

  Bartmess, John E ^a   Hinde, Robert J ^a  

^a UNIVERSITY OF TENNESSEE   (United States)

Author keywords

Acidity; Coulomb; Elements; Gas phase; Hydride

Indexed keywords

ACIDITY; ELECTRIC CHARGE; ELECTRONIC PROPERTIES; ENTHALPY; SEPARATION;

COULOMB; ELEMENTS; GAS PHASE;

HYDRIDES;

HYDRIDE DERIVATIVE; HYDROGEN; UNCLASSIFIED DRUG;

ACIDITY; ARTICLE; CHEMICAL BOND; COULOMETRY; ELECTRON; ELECTRONICS; ENTHALPY; GAS; HYDRATION; HYDROGEN BOND; PH MEASUREMENT; SCIENTIFIC LITERATURE;

EID: 33745188253     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v05-218     Document Type: Article

References (37)

1. B.C. Baughn. J. Chem. Soc. 1403 (1940).
2. J.I. Brauman and L.K. Blair. J. Am. Chem. Soc. 93, 3911 (1971).
3. K.E. Laidig and A. Streitwieser, Jr. J. Comp. Chem. 17, 1771 (1996).
4. E.R. Cohen and B.N. Taylor. J. Res. Nat. Bur. Stand. 92, 85 (1987).
5. W.G. Mallard and P.J. Linstrom (Editors). NIST Chemistry WebBook, NIST Standard Reference Database Number 69 [online]. National Institute of Standards and Technology, Gaithersburg, Md. Available from http://webbook.nist.gov/ chemistry/. June 2005.
6. K.P. Huber and G. Herzberg. In Molecular spectra and molecular structure. IV. Constants of diatomic molecules. 2nd ed. Van Nostrand Reinhold Co., New York. 1979.
7. K.-H. Hellwege (Editor). Landolt-Börnstein numerical data and functional relationships in science and technology II/6: Molecular constants. Springer-Verlag, Berlin. 1974.
8. O. Madelung (Editor). Landolt-Börnstein numerical data and functional relationships in science and technology II/15: Structure data of free polyatomic molecules. Springer-Verlag, Berlin. 1987.
9. W. Martienssen (Editor). Landolt-Börnstein numerical data and functional relationships in science and technology II/23: Structure data of free polyatomic molecules. Springer-Verlag, Berlin. 1995.
10. M.D. Harmony. Acc. Chem. Res. 25, 321 (1992).
11. F. Pawlowski, P. Jorgensen, J. Olsen, F. Hegelund, T. Helgaker, J. Gauss, K.L. Bak, and J.F. Stanton. J. Chem. Phys. 116, 6482 (2002).
12. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, and J.A. Pople. Gaussian 98. Revision A.7 [computer program], Gaussian, Inc., Pittsburgh, Penn. 1998.
13. Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory (EMSL). Extensible Computational Chemistry Environment Basis Set Database. Version 02/25/04. EMSI Gaussian basis sets [online]. Pacific Northwest Laboratory, Richland, Washington. Available from http://www.emsl.pnl. gov/forms/basisform.html.
14. D. Cremer, E. Kraka, and Y. He. J. Mol. Struct. 567-568, 275 (2001).
15. Y. He and D.J. Cremer. J. Phys. Chem. A, 104, 7679 (2000).
16. D. Cremer, A. Wu, A. Larsson, and E. Kraka. J. Mol. Model. 6, 396 (2000).
17. J. Sánchez Márquez and M. Fernández Núñez. J. Mol. Struct: THEOCHEM, 624, 239 (2003).
18. L.A. Curtiss, P.C. Redfern, K. Raghavachari, V. Rassolov, and J.A. Pople. J. Chem. Phys. 110, 4703 (1999).
19. R.J. Hinde. J. Phys. Chem. A, 104, 7580 (2000).
20. L. Pauling. The nature of the chemical bond. Cornell University Press, Ithaca, N.Y. 1939. Chap. 2.
21. R.S. Mulliken. J. Chem. Phys. 2, 782 (1934).
22. J. Hinze, M.A. Whitehead, and H.H. Jaffé. J. Am. Chem. Soc. 85, 148 (1968).
23. S.G. Bratsch. J. Chem. Educ. 65, 34 (1988).
24. A.L. Allred and E.G. Rochow. J. Inorg. Nucl. Chem. 5, 264 (1958);
25. J. Inorg. Nucl. Chem. 5, 269 (1958).
26. R.T. Sanderson. J. Am. Chem. Soc. 105, 2259 (1983).
27. M.R. Nimlos and G.B. Ellison. J. Am. Chem. Soc. 108, 6522 (1986).
28. A.D. Walsh. Discuss. Faraday Soc. 2, 18 (1947).
29. 0(HC≡CCl) appears to be at least 16 kcal/mol too positive, based on group additivity and G3(MP2) calculations: E. Kloster-Jensen, C. Pascual, and C.J. Vogt. Helv. Chim. Acta, 53, 2109 (1970).
30. P.R. Wells. Prog. Phys. Org. Chem. 6, 111 (1968).
31. S. Marriott, W.F. Reynolds, R.W. Taft, and R.D. Topsom. J. Am. Chem. Soc. 106, 959 (1984).
32. R.J. Boyd and S.L. Boyd. J. Am. Chem. Soc. 114, 1652 (1992).
33. J.-C. Guillermin, E.H. Ruiague, J.-F. Gal, P.-C. Maria, O. Mó, and M. Yáñez. Chem. Eur. J. 11, 2145 (2005).
34. G.A. Janaway and J.I. Brauman. J. Phys. Chem. A, 104, 1795 (2000).
35. M. Kaupp, P.v.R. Schleyer, H. Stoll, and H.J. Preuss. Chem. Phys. 94, 1360 (1991)
36. P. Schwerdtfeger, G.A. Heath, M. Dolg, and M.A. Bennett. J. Am. Chem. Soc. 114, 7518 (1992).
37. K. Sumathi and K. Balasubramanian. J. Chem. Phys. 92, 6604 (1990).