Investigation of the structure, bonding, vibrational frequencies and stability by ab initio calculations of H3BPH3, H3BPHF2, and H3BPF3

Journal of Molecular Structure: THEOCHEM

Volumn 397, Issue 1-3, 1997, Pages 179-190

  Durig, J R ^a   Shen, Zhongnan ^a  

^a UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

Author keywords

Ab initio; Borane phosphine complexes; Stability; Structure

Indexed keywords

EID: 0000117922     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(96)04940-8     Document Type: Article

References (26)

1. J.R. Durig, Y.S. Li, L.A. Carreira and J.D. Odom, J. Am. Chem. Soc., 95 (1973) 2491.
2. R.L. Kuczkowski and D.R. Lide, Jr., J. Chem. Phys., 46 (1967) 357.
3. J.P. Pasinski and R.L. Kuczkowski, J. Chem. Phys., 54 (1971) 1903.
4. A. Sebestyen, L. Meggeri and B. Vizi, J. Mol. Struct. (Theochem), 89 (1982) 259.
5. W.A. Graham and F.G.A. Stone, J. Inorg. Nucl. Chem., 3 (1956) 164.
6. E.R. Alton, Ph.D. Thesis, University of Michigan, Ann Arbor, MI, 1961.
7. H. Umeyama, T. Kudo and S. Nakagawa, Chem. Pharm. Bull., 29 (1981) 287.
8. R.W. Parry and T.C. Bissot, J. Am. Chem. Soc., 78 (1956) 1524.
9. H. Fumiltiko, M. Hoji and S. Shuzo, J. Mol. Struct., 201 (1989) 99.
10. R.W. Rudolph and R.W. Parry, J. Am. Chem. Soc., 89 (1967) 1621.
11. Y. Morino, K. Kuchitsu and T. Moritani, Inorg. Chem., 8 (1969) 867.
12. J.D. Odom, V.F. Kalasinsky and J.R. Durig, Inorg. Chem., 14 (1975) 2837.
13. J.D. Odom, S. Reithmiller, J.D. Witt and J.R. Durig, Inorg. Chem., 12 (1973) 1123.
14. R.L. Kuczkowski, J. Am. Chem. Soc., 90 (1968) 1705.
15. A. Haaland, Angew. Chem. Int. Ed. Engl., 28 (1989) 992.
16. J.D. Odom, S. Reithmiller, S.J. Meischen and J.D. Durig, J. Mol. Struct., 20 (1974) 471.
17. J.D. Odom, V.F. Kalasinsky and J.R. Dung, J. Mol. Struct., 24 (1975) 139.
18. R.C. Taylor and V.D. Dunning, J. Mol. Struct., 95 (1982) 23.
19. I.H. Hillier and V.R. Saunders, J. Chem. Soc. (A), (1971) 664.
20. M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. DeFrees, J. Baker, J.J.P. Stewart and J.A. Pople, GAUSSIAN 92, Gaussian, Inc., Pittsburgh, PA, 1992.
21. P. Pulay, Mol. Phys., 17 (1969) 197.
22. E.B. Wilson, J.C. Decius and P.C. Cross, Molecular Vibration, McGraw-Hill, New York, 1985.
23. J.H. Schachtschneider, Vibrational Analysis of Polyatomic Molecules, V and VI, Technical Report Nos 231-64 and 57-65, Shell Development, Houston, TX, 1964 and 1965.
24. V. Gutmann, The Donor-Acceptor Approach to Molecular Internations, Plenum, New York, 1978.
25. P.S. Bryan and R.L. Kuczkowski, Inorg. Chem., 11 (1972) 553.
26. M. Oswald, J. Flügge and P. Botschwina, J. Mol. Struct., 320 (1994) 227.