SiH2, a critical study

Molecular Physics

Volumn 102, Issue 23-24, 2004, Pages 2597-2606

  Kalemos, Apostolos ^a,b   Dunning Jr , Thom H ^a,b   Mavridis, Aristides ^c  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF TENNESSEE   (United States)

^c UNIVERSITY OF ATHENS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; GROUND STATE; NUCLEAR MAGNETIC RESONANCE; PARAMAGNETIC RESONANCE; POLARIZATION; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; ULTRAVIOLET SPECTROSCOPY;

KINETIC ULTRAVIOLET SPECTROSCOPY; PROMOTION ENERGY; SILYLENE MOLECULES; SINGLET GROUND STATE; WAVE FUNCTIONS;

SILICON COMPOUNDS;

EID: 10944239539     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970412331293802     Document Type: Article

References (65)

1. APELOIG, Y., PAUNCZ, R., KARNI, M., WEST, R., STEINER, W., and CHAPMAN, D., 2003, Organometallics, 22, 3250.
2. GASPAR, P. P., XIAO, M., PAE, D. H., BERGER, D. J., HAILE, T., CHEN, T., LEI, D., WINCHESTER, W. R., and JIANG, P., 2002, J. Organometallic Chem., 646, 68.
3. GORDON, M. S., 1985, Chem. Phys. Lett., 114, 348.
4. JIANG, P., and GASPAR, P. P., 2001, J. Am. Chem. Soc., 123, 8622; see also 2001, Chem. Eng. News, 79(37), 29.
5. JIANG, P., and GASPAR, P. P., 2001, J. Am. Chem. Soc., 123, 8622; see also 2001, Chem. Eng. News, 79(37), 29.
6. YOSHIDA, M., and TAMAOKI, N., 2002, Organometallics, 21, 2587.
7. See for example KALEMOS, A., DUNNING JR, T. H., MAVRIDIS, A., and HARRISON, J. F., 2004, Can. J. Chem., 82, 684.
8. JORDAN, P. C., 1966, J. Chem. Phys., 44, 3400.
9. DUBOIS, I., HERZBERG, G., and VERMA, R. D., 1967, J. Chem. Phys., 47, 4262.
10. DUBOIS, I., 1968, Can. J. Phys., 46, 2485.
11. MILLIGAN, D. E., and JACOX, M. E., 1970, J. Chem. Phys., 52, 2594.
12. WIRSAM, B., 1972, Chem. Phys. Lett., 14, 214.
13. DUBOIS, I., DUXBURY, G., and DIXON, R. N., 1975, J. Chem. Soc. Faraday Trans. II, 71, 799.
14. KASDAN, A., HERBST, E., and LINEBERGER, W. C., 1975, J. Chem. Phys., 62, 541.
15. MEADOWS, J. H., and SCHAEFER III, H. F., 1976, J. Am. Chem. Soc., 98, 4383.
16. SAUER, J., ČARSKY, P., and ZAHRADNIK, R., 1982, Collect. Czech. Chem. Commun., 47, 1149.
17. COLVIN, M. E., GREV, R. S., SCHAEFER III, H. F., and BICERANO, J. C., 1983, Chem. Phys. Lett., 99, 399.
18. RICE, J. E., and HANDY, N. C., 1984, Chem. Phys. Lett., 107, 365.
19. FREDIN, L., HAUGE, R. H., KAFAFI, Z. H., and MARGRAVE, J. L., 1985, J. Chem. Phys., 82, 3542.
20. BALASUBRAMANIAN, K., and MCLEAN, A. D., 1986, J. Chem. Phys., 85, 5117.
21. ALLEN, W. D., and SCHAEFER III, H. F., 1986, Chem. Phys., 108, 243 and references cited therein.
22. BERKOWITZ, J., GREENE, J. P., CHO, H., and RUSCIC, B., 1987, J. Chem. Phys., 86, 1235.
23. BAUSCHLICHER JR, C. W., and TAYLOR, P. R., 1987, J. Chem. Phys., 86, 1420.
24. BAUSCHLICHER JR, C. W., and TAYLOR, P. R., 1987, J. Chem. Phys., 86, 2844.
25. BAUSCHLICHER JR, C. W., LANGHOFF, S. R., and TAYLOR, P. R., 1987, J. Chem. Phys., 87, 387.
26. FRANCISCO, J. S., BARNES, R., and THOMAN JR, J. W., 1988, J. Chem. Phys., 88, 2334.
27. SELMANI, A., and SALAHUB, D. R., 1988, J. Chem. Phys., 89, 1529.
28. YAMADA, C., KANAMORI, H., HIROTA, E., NISHIWAKI, N., ITABASHI, N., KATO, K., and GOTO, T., 1989, J. Chem. Phys., 91, 4582.
29. SHIN, S. K., GODDARD III, W. A., and BEAUCHAMP, J. L., 1990. J. Chem. Phys., 93, 4986.
30. MCKAY, R. I., UICHANCO, A. S., BRADLEY, A. J., HOLDSWORTH, J. R., FRANCISCO, J. S., STEINFELD, J. I., and KNIGHT, A. E. W., 1991, J. Chem. Phys., 95, 1688.
31. ISHIKAWA, H., and KAJIMOTO, O., 1991, J. Molec. Spectrosc., 150, 610.
32. GREV, R. S., SCHAEFER III, H. F., and CASPAR, P. P., 1991. J. Am. Chem. Soc., 113, 5638.
33. FUKUSHIMA, M., MAYAMA, S., and OBI, K., 1992, J. Chem. Phys., 96, 44.
34. GREV, R. S., and SCHAEFER III, H. F., 1992, J. Chem. Phys., 97, 8389.
35. ISHIKAWA, H., and KAJIMOTO, O., 1993, J. Molec. Spectrosc., 160, 1.
36. DUXBURY, G., ALIJAH, A., and TRIELING, R. R., 1993, J. Chem. Phys., 98, 811.
37. GABRIEL, W., ROSMUS, P., YAMASHITA, K., MOROKUMA, K., and PALMIERI, P., 1993, Chem. Phys., 174, 45.
38. FUKUSHIMA, M., and OBI, K., 1994, J. Chem. Phys., 100, 6221 and references cited therein.
39. CRAMER, C. J., DULLES, F. J., STORER, J. W., and WORTHINGTON, S. E., 1994, Chem. Phys. Lett., 218, 387.
40. ISHIKAWA, H., and KAJIMOTO, O., 1995, J. Molec. Spectrosc., 174, 270.
41. MATSUNAGA, N., KOSEKI, S., and GORDON, M. S., 1996, J. Chem. Phys., 104, 7988.
42. YAMAGUCHI, Y., VAN HUIS, T. J., SHERRILL, C. D., and SCHAEFER III, H. F., 1997, Theor. Chem. Acc., 97, 341.
43. HAVLAS, Z., DOWNING, J. W., and MICHL, J., 1998, J. Phys. Chem. A, 102, 5681.
44. ESCRIBANO, R., and CAMPARGUE, A., 1998, J. Chem. Phys., 108, 6249.
45. HIROOTA, E., and ISHIKAWA, H., 1999, J. Chem. Phys., 110, 4254.
46. SLIPCHENKO, L. V., and KRYLOV, A. I., 2002, J. Chem. Phys., 117, 4694.
47. NAKAJIMA, M., KAWAI, A., FUKUSHIMA, M., and OBI, K., 2002, Chem. Phys. Lett., 364, 99.
48. ISHIKAWA, H., MURAMOTO, Y., and MIKAMI, N., 2002, J. Molec. Spectrosc., 216, 90.
49. KALEMOS, A., MAVRIDIS, A., and METROPOULOS, A., 1999, J. Chem. Phys., 111, 9536.
50. KALEMOS, A., MAVRIDIS, A., and METROPOULOS, A., 2002, J. Chem. Phys., 116, 6529.
51. JACOX, M. E., 2003, J. Phys. Chem. Ref. Data, 32, 17.
52. JACOX, M. E., 2003, Vibrational and electronic energy levels of polyatomic transient molecules, NIST Chemistry Webbook, NIST Standard Reference Database Number 69, edited by P. J. Linstrom and W. G. Mallard (Gaithersburg MD: National Institute of Standards and Technology), 20899 (http://webbook.nist. gov).
53. DUNNING JR, T. H., 1989, J. Chem. Phys., 90, 1007; WILSON, A. K., VAN MOURIK, T., and DUNNING JR, T. H., 1997, J. Molec. Spectrosc. (Theochem), 388, 339; WOON, D. E., and DUNNING JR, T. H., 1993, J. Chem. Phys., 98, 1358; PETERSON, K. A., and DUNNING JR, T. H., 2002, J. Chem. Phys., 117, 10548.
54. DUNNING JR, T. H., 1989, J. Chem. Phys., 90, 1007; WILSON, A. K., VAN MOURIK, T., and DUNNING JR, T. H., 1997, J. Molec. Spectrosc. (Theochem), 388, 339; WOON, D. E., and DUNNING JR, T. H., 1993, J. Chem. Phys., 98, 1358; PETERSON, K. A., and DUNNING JR, T. H., 2002, J. Chem. Phys., 117, 10548.
55. DUNNING JR, T. H., 1989, J. Chem. Phys., 90, 1007; WILSON, A. K., VAN MOURIK, T., and DUNNING JR, T. H., 1997, J. Molec. Spectrosc. (Theochem), 388, 339; WOON, D. E., and DUNNING JR, T. H., 1993, J. Chem. Phys., 98, 1358; PETERSON, K. A., and DUNNING JR, T. H., 2002, J. Chem. Phys., 117, 10548.
56. DUNNING JR, T. H., 1989, J. Chem. Phys., 90, 1007; WILSON, A. K., VAN MOURIK, T., and DUNNING JR, T. H., 1997, J. Molec. Spectrosc. (Theochem), 388, 339; WOON, D. E., and DUNNING JR, T. H., 1993, J. Chem. Phys., 98, 1358; PETERSON, K. A., and DUNNING JR, T. H., 2002, J. Chem. Phys., 117, 10548.
57. PETERSON, K. A., WOON, D. E., and DUNNING JR, T. H., 1994, J. Chem. Phys., 100, 7410. Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 12/03/03, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, PO Box 999, Richland, Washington 99352, USA, and funded by the US Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the US Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
58. MOLPRO, a package of ab initio programs designed by H.-J. Werner and P. J. Knowles, version 2002.6, with contributions from R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, P. J. Knowles, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, T. Thorsteinsson and H.-J. Werner.
59. MARTIN, W. C., and ZALUBAS, R., 1983, J. Phys. Chem. Ref. Data, 12, 323.
60. SAM, R. S., ENGLEMAN JR, R., and BERNATH, P. F., 1998, J. Molec. Spectrosc., 190, 341.
61. LARSSON, M., 1987, J. Chem. Phys., 86, 5018.
62. STEPHENS, J. C., YAMAGUCHI, Y., SHERRILL, C. D., and SCHAEFER III, H. F., 1998, J. Phys. Chem. A, 102, 3999.
63. VAN Huts, T. J., YAMAGUCHI, Y., SHERRILL, C. D., and SCHAEFER III, H. F., 1997, J. Phys. Chem. A, 101, 6955.
64. HUBER, K. P., and HERZBERG, G., 2003, Constants of diatomic molecules (data prepared by J. W. Gallagher and R. D. Johnson, III), NIST Chemistry Webbook, NIST Standard Reference Database Number 69, edited by P. J. Linstrom and W. G. Mallard (Gaithersburg MD: National Institute of Standards and Technology), 20899 (http://webbook.nist.gov).
65. BRUNA, P. J., HIRSCH, G., PEYERIMHOFF, S. D., and BUENKER, R. J., 1981, Molec. Phys., 42, 875.