Complete basis set and Gaussian ab initio study of protonated isomers of borohydride anion

Journal of Molecular Structure: THEOCHEM

Volumn 492, Issue 1-3, 1999, Pages 97-103

  Jursic, B S ^a  

^a UNIVERSITY OF NEW ORLEANS   (United States)

Author keywords

Boronhydride boron; Gaussian ab initio study; Hypervalent; Protonation

Indexed keywords

BORON DERIVATIVE; SODIUM BOROHYDRIDE;

ARTICLE; CHEMICAL REACTION; ISOMERISM; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; MOLECULAR INTERACTION; PROTON TRANSPORT; REACTION ANALYSIS; STRUCTURE ANALYSIS;

EID: 0033615936     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00110-4     Document Type: Article

References (36)

1. G.A. Olah, G. Rasul, Acc. Chem. Res. 30 (1997) 245 and reference therein.
2. T.J. Tague, L. Andrews, J. Am. Chem. Soc. 116 (1994) 4970.
3. P.R. Schreiner, H.F. Schaefer, P.V.R. Schleyer, J. Chem. Phys. 101 (1994) 7625.
4. J.D. Watts, R. Bartlett, J. Am. Chem. Soc. 117 (1995) 825.
5. B.D. James, M.G. Wallbridge, Prog. Inorg. Chem. 11 (1970) 97 and reference therein.
6. G.A. Olah, P.W. Westerman, Y.K. Mo, G. Klopman, J. Am. Chem. Soc. 94 (1972) 7859.
7. A. Blumenthal, H. Beruda, H. Schmidbaur, J. Chem. Soc., Chem. Commun. (1993) 1005.
8. G. Rasul, G.A. Olah, Inorg. Chem. 36 (1997) 1278.
9. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A., Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, 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, J.A. Pople, Gaussian 94, Revision D.4, Gaussian, Inc., Pittsburgh, PA, 1995.
10. C.C.J. Roothaan, Revs. Mod. Phys. 23 (1951) 69.
11. C. Møller, M.S. Plesset, Phys. Rev. 46 (1934) 618.
12. R. Krishnan, J.A. Pople, Int. J. Quantum Chem. 14 (1978) 91.
13. J.A. Pople, M. Head-Gordon, K. Raghavachari, J. Chem. Phys. 87 (1987) 5968.
14. M.R. Nyden, G.A. Petersson, J. Chem. Phys. 75 (1981) 1843.
15. G.A. Petersson, M.A. Al-Laham, J. Chem. Phys. 94 (1991) 6081.
16. G.A. Petersson, T. Tensfeldt, J.A. Montgomery, J. Chem. Phys. 94 (1991) 6091.
17. J.A. Montgomery, J.W. Ochterski, G.A. Petersson, J. Chem. Phys. 101 (1994) 5900.
18. L.A. Curtiss, C. Jones, G.W. Trucks, K. Raghavachari, J.A. Pople, J. Chem. Phys. 93 (1990) 2537.
19. J.A. Pople, M. Head-Gordon, D.J. Fox, K. Raghavachari, L.A. Curtiss, J. Chem. Phys. 90 (1989) 5622.
20. L.A. Curtiss, K. Raghavachari, G.W. Trucks, J.A. Pople, J. Chem. Phys. 94 (1991) 7221.
21. L.A. Curtiss, K. Raghavachari, J.A. Pople, J. Chem. Phys. 98 (1993) 1293.
22. J.B. Foresman, A. Frisch, Exploring Chemistry with Electronic Structure Methods: A Guide to Using Gaussian, 2, Gaussian, Inc, Pittsburgh, PA, 1996.
23. B.S. Jursic, Theor. Chem. Acc. 100 (1998) 329.
24. B.S. Jursic, J. Phys. Chem. A 102 (1998) 9255.
25. B.S. Jursic, Chem. Phys. 237 (1998) 51.
26. B.S. Jursic, Theor. Chem. Acc. 99 (1998) 289.
27. B.S. Jursic, Theor. Chem. Acc. 99 (1998) 171.
28. B.S. Jursic, J. Mol. Struct. (Theochem) 428 (1998) 175.
29. B.S. Jursic, J. Mol. Struct. (Theochem) 427 (1998) 117.
30. B.S. Jursic, Int. J. Quantum Chem. 66 (1998) 409.
31. F.A. Cotton, G. Wilkinson, Advanced Inorganic Chemistry, 5, Wiley, New York, 1988.
32. A.G. McKenna, J.F. McKenna, J. Chem. Educ. 61 (1984) 771.
33. C.H. DePuy, R. Gareyev, J. Hankin, G.E. Davico, J. Am. Chem. Soc. 119 (1997) 427.
34. C.H. Depuy, R. Gareyev, J. Hankin, G.E. Davico, M. Krempp, R. Damrauer, J. Am. Chem. Soc. 120 (1998) 5086.
35. F.A. Carey, R.J. Sundberg, Advanced Organic Chemistry, 3, Plenum Press, New York, 1990 Part A and B.
36. B.S. Jursic, Int. J. Quantum Chem. (1999) in press.