Spectra and structure of silicon containing compounds. XLI. Infrared and Raman spectra, conformational stability, vibrational assignment and ab initio calculations of cyclopropylbromosilane

Journal of Molecular Structure

Volumn 657, Issue 1-3, 2003, Pages 239-254

  Guirgis, Gamil A ^a   Pan, Chunhua ^b   Bregg, Jason ^a   Durig, James R ^b  

^a Department of Teacher Education and Department of Sociology and Anthropology   (United States)

^b UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

Author keywords

Ab initio calculations; Conformational stability; Cyclopropylbromosilane; Infrared and Raman spectra; Krypton solutions

Indexed keywords

CYCLOPROPYLBROMOSILANE; KRYPTON; SILICON DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; ENERGY; ENTHALPY; FORCE; GAS; GEOMETRY; INFRARED SPECTROSCOPY; LIQUID; MOLECULAR STABILITY; RAMAN SPECTROMETRY; SOLID; SPECTROSCOPY; TEMPERATURE; VIBRATION;

EID: 0041821721     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(03)00411-3     Document Type: Article

References (46)

1. C.J. Wurrey, S. Shen, T.K. Gounev, J.R. Durig, J. Mol. Struct. 406 (1997) 207.
2. C.J. Wurrey, S. Shen, X. Zhu, H. Zhen, J.R. Durig, J. Mol. Struct. 449 (1998) 203.
3. J.R. Durig, S. Shen, X. Zhu, C.J. Wurrey, J. Mol. Struct. 485/486 (1999) 501.
4. G.A. Guirgis, C.J. Wurrey, Z. Yu, X. Zhu, J.R. Durig, J. Phys. Chem. A 103 (1999) 1509.
5. F.G. Fujiwara, J.C. Chang, H. Kim, J. Mol. Spectrosc. 41 (1977) 177.
6. M.A. Mohammadi, W.V.F. Brooks, J. Mol. Spectrosc. 73 (1978) 347.
7. M.A. Mohammadi, W.V.F. Brooks, Can. J. Spectrosc. 23 (1978) 181.
8. S.H. Schei, Acta Chem. Scand. Ser. A 37 (1983) 15.
9. V.F. Kalasinsky, C.J. Wurrey, J. Raman Spectrosc. 9 (1980) 315.
10. C.J. Wurrey, R. Krishnamoorthi, S. Pechsiri, V.F. Kalasinsky, J. Raman Spectrosc. 12 (1982) 95.
11. R. Stolevik, P. Bakken, J. Mol. Struct. 196 (1989) 285.
12. T.K. Gounev, T.W. Weston, S. Shen, M. Dakkouri, A. Grunvogel-Hurst, J.R. Durig, J. Phys. Chem. A 101 (1997) 8614.
13. C. Moller, M.S. Plesset, Phys. Rev. 46 (1934) 618.
14. H.E. Simons, R.D. Smilh, J. Am. Chem. Soc. 81 (1959) 4256.
15. K. Furic, J.R. Durig, Appl. Spectrosc. 42 (1988) 175.
16. 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, 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, M.W. Wong, J.L. Andres, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M. Head-Gordon, E.S. Replogle, J.A. Pople, GAUSSIAN 98 (Revision A.6), Gaussian, Inc., Pittsburgh, PA, 1998.
17. P. Pulay, Mol. Phys. 17 (1969) 197.
18. G.A. Guirgis, X. Zhu, Z. Yu, J.R. Durig, J. Phys. Chem. A 104 (2000) 4383.
19. M.J. Frisch, Y. Yamaguchi, J.F. Yu, H.F. Schaefer III, J.S. Binkley, J. Chem. Phys. 84 (1986) 531.
20. R.D. Amos, Chem. Phys. Lett. 124 (1986) 376.
21. P.L. Polavarapu, J. Phys. Chem. 94 (1990) 8106.
22. G.W. Chantry, in: A. Anderson (Ed.), The Raman Effect, vol. 1, Marcel Dekker, New York, NY, 1971, [Chapter 2].
23. W.A. Herrebout, B.J. van der Veken, J. Phys. Chem. 100 (1996) 9671.
24. J.R. Durig, X. Zhu, S. Shen, J. Mol. Struct. 570 (2001) 1.
25. M.O. Bulanin, J. Mol. Struct. 347 (1995) 73.
26. B.J. van der Veken, F.R. DeMunck, J. Chem. Phys. 97 (1992) 3060.
27. M.O. Bulanin, J. Mol. Struct. 19 (1973) 59.
28. B.J. van der Veken, W.A. Herrebout, D.T. Durig, W. Zhao, J.R. Durig, J. Phys. Chem. A 103 (1999) 1976.
29. D.C. McKean, J. Mol. Struct. 113 (1984) 251.
30. J.L. Duncan, J.L. Harvie, D.C. McKean, S. Cradock, J. Mol. Struct. 145 (1986) 225.
31. T.A. Mohamed, G.A. Guirgis, Y.E. Nashed, J.R. Durig, Struct. Chem. 10 (1999) 333.
32. S. Shen, G.A. Guirgis, J.R. Durig, Struct. Chem. 12 (2001) 33.
33. G.A. Guirgis, Y.E. Nashed, J.B. Robb II, J.R. Durig, J. Mol. Struct. 446 (1998) 15.
34. T.A. Mohamed, G.A. Guirgis, Y.E. Nashed, J.R. Durig, Struct. Chem. 9 (1998) 255.
35. G.A. Guirgis, Y.E. Nashed, J.R. Durig, J. Mol. Struct. 510 (1999) 13.
36. J.R. Durig, Y.E. Nashed, M.A. Qtaitat, G.A. Guirgis, J. Mol. Struct. 525 (2000) 191.
37. J.R. Durig, C. Pan, G.A. Guirgis, J. Mol. Struct. 657 (2003) in press.
38. J.R. Durig, K.W. Ng, C. Zheng, S. Shen, Struct. Chem. 14 (2003) in press.
39. J.R. Durig, in: M. Hargittai, I. Hargittai (Eds.), Advances in Molecular Structure Research, Vol. 6, JAI Press Inc, Stamford, CT, 2000, pp. 401-442.
40. B. Galabov, J.P. Kenny, H.F. Schaefer III, J.R. Durig, J. Phys. Chem. A 106 (2002) 3625.
41. S. Bell, B.R. Drew, G.A. Guirgis, J.R. Durig, J. Mol. Struct. 553 (2000) 199.
42. J.R. Durig, C. Zheng, R.D. Warren, P. Groner, C.J. Wurrey, T.K. Gounev, W.A. Herrebout, B.J. van der Veken, 108 (2003) in press.
43. W.A. Herrebout, C. Zheng, B.J. van der Veken, J. Durig, J. Mol. Struct. 645 (2003) 109.
44. W. Caminati, R. Danieli, M. Dakkouri, R. Bitschenauer, J. Phys. Chem. 99 (1995) 1867.
45. T.K. Gounev, S.W. Hur, M. Dakkouri, A. Grunvogel-Hurst, J.R. Durig, Struct. Chem. 9 (1998) 95.
46. J.R. Durig, S.W. Hur, M. Dakkouri, A. Grunvogel-Hurst, T.K. Gounev, Chem. Phys. 226 (1998) 125.