Aluminum-phosphorus compounds with low coordination numbers: Structures, energies, and vibrational frequencies of the AlPH2, AlPH3, and AlPH4 isomers and the H3Al-PH3 adduct

Journal of Physical Chemistry A

Volumn 101, Issue 17, 1997, Pages 3135-3142

  Davy, Randall D ^a   Schaefer III, Henry F ^b  

^a LIBERTY UNIVERSITY   (United States)

^b UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000252232     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp962387r     Document Type: Article

References (38)

1. Paine, R. T.; Noth, H. Chem. Rev. 1995, 95, 343.
2. Schulz, S.; Hämig, L.; Herbst-Immer, R.; Roesky, H. W.; Sheldrick, G. M. Angew. Chem., Int. Ed. Engl. 1994, 33, 969.
3. Wehmshulte, R. J.; Power, P. P. J. Am. Chem. Soc. 1996, 118, 791.
4. Arif, A. M.; Boggs, J. E.; Cowley, A. H.; Lee, J.-G.; Pakulski, M.; Power, J. M. J. Am. Chem. Soc. 1986, 108, 6093.
5. Cowley, A. H. Phosphorus, Sulfur 1987, 30, 129.
6. Waggoner, K. M.; Hope, H.; Power, P. P. Angew. Chem., Int. Ed. Engl. 1988, 27, 1699.
7. Dias, H. V. R.; Power, P. P. Angew. Chem., Int. Ed. Engl. 1987, 26, 1270.
8. Pestana, D. C.; Power, P. P. J. Am. Chem. Soc. 1991, 113, 8426.
9. Power, P. P. Angew. Chem., Int. Ed. Engl. 1990, 29, 449.
10. Watts, J. D.; Van Zant, L. C. Chem. Phys. Lett. 1996, 251, 119.
11. Kerins, M. C.; Fitzpatrick, N. J.; Nguyen, M. T. Polyhedron 1989, 8, 969.
12. Almenningen, A.; Fernhalt, L.; Haaland, A.; Weidlen, J. J. Organomet. Chem. 1978, 145, 109.
13. Wehmschulte, R. J.; Ruhlandt-Senge, K.; Power, P. P. Inorg. Chem. 1994, 33, 3205.
14. Cowley, A. H. J. Organomet. Chem. 1990, 400, 71.
15. Cowley, A. H.; Jones, R. A.; Mardones, M. A.; Atwood, J. L.; Bott, S. G. Angew. Chem., Int. Ed. Engl. 1990, 29, 1409.
16. Chaellet, M.; Dargelos, A.; Marsden, C. J. New. J. Chem. 1994, 18, 693.
17. Jungwirth, P.; Zahradnik, R. THEOCHEM 1993, 283, 317.
18. Bennett, F. R.; Elms, F. M.; Gardiner, M. G.; Koutsantonis, G. A.; Raston, L.; Roberts, N. K. Organometallics 1992, 11, 1457.
19. Matsunaga, N.; Cundari, T. R.; Schmidt, M. W.; Gordon, M. S. Theor. Chim. Acta 1992, 83, 57.
20. Matsunaga, N.; Gordon, M. S. J. Am. Chem. Soc. 1994, 116, 11408.
21. Davy, R. D.; Jaffrey, K. L. J. Phys. Chem. 1994, 98, 8930.
22. Huzinaga, S. J. Chem. Phys. 1965, 45, 1293.
23. Dunning, T. H., Jr. J. Chem. Phys. 1970, 53, 2823.
24. Huzinaga, S. Approximate Atomic Functions II. Department of Chemistry Report, University of Alberta, Edmonton, Alberta, Canada, 1971.
25. Dunning, T. H., Jr.; Hay, P. J. In Methods of Electronic Structure Theory; Schaefer, H. F., Ed.; Plenum: New York, 1977.
26. Dunning, T. H., Jr. J. Chem. Phys. 1971, 55, 716.
27. McLean, A. D.; Chandler, G. S. J. Chem. Phys. 1980, 72, 5639.
28. Janssen, C. L.; Seidl, E. T.; Scuseria, G. E.; Hamilton, T. P.; Yamaguchi, Y.; Remington, R. B.; Xie, Y.; Vacek, G.; Sherrill, C. D.; Crawford, T. D.; Fermann, J. T.; Allen, W. D.; Brooks, B. R.; Fitzgerald, G. B.; Fox, D. J.; Gaw, J. F.; Handy, N. C.; Laidig, W. D.; Lee, T. J.; Pitzer, R. M.; Rice, J. E.; Saxe, P.; Scheiner, A. C.; Schaefer, H. F. PSI 2.0.8; PSITECH, Inc.: Watkinsville, GA, 30677, 1994.
29. Haaland, A. In Coordination Chemistry of Aluminum; Robinson, G. H., Ed.; VCH: New York, 1994; pp 1-56.
30. Sakai, S. J. Phys. Chem. 1992, 96, 8369.
31. Cioslowski, J. J. Am. Chem. Soc. 1989, 111, 8333.
32. Lefcourt, M. A.; Ozin, G. A. J. Phys. Chem. 1991, 95, 2623.
33. Schaefer, H. F.; Thomas, J. R.; Yamaguchi, Y.; DeLeeuw, B. J.; Vacek, G. In Modern Electronic Structure Theory, Part I; Yarkony, D. R., Ed.; World Scientific: Englewood Cliffs, NJ, 1995; pp 3-54.
34. Schade, C.; Schleyer, P. v. R. J. Chem. Soc., Chem Commun. 1987, 1399.
35. Lehn, J. M.; Munsch, B. Mol. Phys. 1972, 23, 91.
36. Allen, T. L.; Scheiner, A. C.; Schaefer, H. F. Inorg. Chem. 1990, 29, 1930.
37. McKee, M. L. J. Phys. Chem. 1992, 96, 5380.
38. Sana, M.; Leroy, G. Wilamte, C. Organomettalics 1992, 11, 787.