Conformational and structural studies of 1-fluorosilacyclobutane from temperature dependent FT-IR spectra of krypton solutions and ab initio calculations

Journal of Molecular Structure

Volumn 800, Issue 1-3, 2006, Pages 106-119

  Pan, Chunhua ^a   Zhen, Pengqian ^a   Guirgis, Gamil A ^b   Durig, James R ^a  

^a UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

^b School of Business   (United States)

Author keywords

1 fluoro silacyclobutane; Ab initio calculations; Conformational stability; r0 Parameters; Silacyclobutane

Indexed keywords

CONFORMATIONS; ENTHALPY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; KRYPTON; MOLECULAR STRUCTURE; RAMAN SCATTERING;

AB INITIO CALCULATIONS; CONFORMATIONAL STABILITY; FLUORO SILACYCLOBUTANE; RO PARAMETERS; SILACYCLOBUTANE;

BUTANE;

EID: 33750691627     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.04.001     Document Type: Article

References (46)

1. Durig J.R., Zhen P., Jin Y., Gounev T.K., and Guirgis G.A. J. Mol. Struct. 477 (1999) 31
2. Durig J.R., Gounev T.K., Zhen P., and Guirgis G.A. J. Mol. Struct. (Theochem.) 500 (2000) 275
3. Gounev T.K., Guirgis G.A., Zhen P., and Durig J.R. Spectrochim. Acta A 56 (2000) 2563
4. Gounev T.K., Guirgis G.A., Mohamed T.A., Zhen P., and Durig J.R. J. Raman Spectrosc. 30 (1999) 399
5. Guirgis G.A., Gounev T.K., Zhen P., and Durig J.R. Spectrochim. Acta A 55 (1999) 2753
6. Durig J.R., and Morrisey A.C. J. Chem. Phys. 46 (1966) 4854
7. Durig J.R., and Green W.H. J. Chem. Phys. 47 (1967) 673
8. Durig J.R., Willis J.N., and Green W.H. J. Chem. Phys. 54 (1971) 1547
9. Blackwell C.S., Carreira L.A., Durig J.R., Karriker J.M., and Lord R.C. J. Chem. Phys. 56 (1972) 1706
10. Durig J.R., Carreira L.A., and Willis J.N. J. Chem. Phys. 57 (1972) 2755
11. Durig J.R., Shing A.C., and Carreira L.A. J. Mol. Struct. 17 (1973) 423
12. Rothschild G.W., and Dailey B.P. J. Chem. Phys. 36 (1962) 2931
13. Kim H., and Gwinn W.D. J. Chem. Phys. 44 (1966) 865
14. Durig J.R., Little T.S., and Lee M.J. J. Raman Spectrosc. 20 (1989) 757
15. Durig J.R., Lee M.J., and Little T.S. J. Raman Spectrosc. 21 (1990) 529
16. Durig J.R., Lee M.J., and Little T.S. Struct. Chem. 2 (1991) 195
17. Durig J.R., Lee M.J., Zhao W., and Little T.S. Struct. Chem. 3 (1992) 329
18. Caminati W., Favero L.B., Maris A., and Favero P.G. J. Mol. Struct. 376 (1996) 25
19. Pringle Jr. W.C. J. Chem. Phys. 54 (1971) 4979
20. Hayaski M., Imacki M., and Oyamada M. J. Mol. Struct. 74 (1981) 97
21. Durig J.R., Geyer T.J., Little T.S., and Kalasinsky V.F. J. Chem. Phys. 86 (1987) 545
22. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zadrzewski, 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 98 (Revision B.3), Gaussian, Inc., Pittsburgh, PA, 1998.
23. Pulay P. Mol. Phys. 17 (1969) 197
24. Moller C., and Plesset M.S. Phys. Rev. 46 (1934) 618
25. Dakkouri M., and Grossr M. J. Mol. Struct. 559 (2001) 7
26. Mastryukov V.S., Dorofeeva O.V., Vikov L.V., Cyvin B., and Cyvin S. Zh. Strukt. Khim. 16 (1975) 473
27. Guirgis G.A., Zhu X., Yu Z., and Durig J.R. J. Phys. Chem. A 104 (2000) 4383
28. Frisch M.J., Yamaguchi Y., Gaw J.F., Schaefer III H.F., and Binkley J.S. J. Chem. Phys. 84 (1986) 531
29. Amos R.D. Chem. Phys. Lett. 124 (1986) 376
30. Polavarapu P.L. J. Phys. Chem. 94 (1990) 8106
31. Chantry G.W. In: Anderson A. (Ed). The Raman Effect vol. 1 (1971), Marcel Dekker Inc., New York (Chapter 2)
32. Herrebout W.A., van der Veken B.J., Wang A., and Durig J.R. J. Phys. Chem. 99 (1995) 578
33. Herrebout W.A., and van der Veken B.J. J. Phys. Chem. 100 (1996) 9671
34. Bulanin M.O. J. Mol. Struct. 19 (1973) 59
35. Bulanin M.O. J. Mol. Struct. 347 (1995) 73
36. van der Veken B.J., and DeMunck E.R. J. Chem. Phys. 97 (1997) 3060
37. van der Veken B.J., Herrebout W.A., Durig D.T., Zhao W., and Durig J.R. J. Phys. Chem. A 103 (1999) 1976
38. Duncan J.L., Harvie J.L., and McKean D.C. J. Mol. Struct. 145 (1986) 225
39. Durig J.R., Ng K.W., Zheng C., and Shen S. Struct. Chem. 15 (2004) 149
40. Ohno K., Matsuura H., Endo Y., and Hirota E. J. Mol. Spectrosc. 111 (1985) 73
41. Kilb R.W., and Pierce L. J. Chem. Phys. 27 (1957) 108
42. D.H. Peterson, Ph.D. Thesis, University of Notre Dame, South Bend, Indiana.
43. Kewley R., McKenney P.M., and Robiettee A.G. J. Mol. Spectrosc. 34 (1970) 390
44. Krisher L.C., and Pierce L. J. Chem. Phys. 32 (1960) 1619
45. Laane J., and Lord R.C. J. Chem. Phys. 48 (1968) 1508
46. Egawa T., Yamamoto S., Ueda T., and Kuchitsu K. J. Mol. Spectrosc. 126 (1981) 239