Vibrational spectra, conformational equilibria, ab initio calculations and vibrational assignments of ethylmethylfluorosilane

Journal of Molecular Structure

Volumn 825, Issue 1-3, 2006, Pages 101-114

  Guirgis, Gamil A ^a   Horn, Anne ^b   Klaeboe, Peter ^b   Nielsen, Claus J ^b  

^a School of Business   (United States)

^b UNIVERSITY OF OSLO   (Norway)

Author keywords

Ab initio calculations; Conformational stability; Ethylmethylfluorosilane; Infrared and Raman spectra

Indexed keywords

ANNEALING; COMPUTATION THEORY; INFRARED SPECTROSCOPY; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING;

AB INITIO CALCULATIONS; CONFORMATIONAL STABILITY; ETHYLMETHYLFLUOROSILANE;

SILANES;

EID: 33751166555     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.03.105     Document Type: Article

References (19)

1. Pan C., Guirgis G.A., and Durig J.R. J. Mol. Struct. 742 (2005) 199
2. Guirgis G.A., Horn A., Klaeboe P., and Nielsen C.J. Spectrochim. Acta 61A (2005) 1335
3. Aleksa V., Klaeboe P., Nielsen C.J., Guirgis G.A., and Durig J.R. J. Raman Spectrosc. 35 (2004) 975
4. Johansen T.H., Hassler K., Richardson A.D., Tekautz G., and Hagen K. Spectrochim. Acta 61A (2005) 1307
5. Klaeboe P., Guirgis G.A., Witkowski W.A., Horn A., and Nielsen C.J. J. Raman Spectrosc. 37 (2006) 29
6. H. Mollendal, private communications.
7. Crowder G.A., and Koger T. J. Mol. Struct. 29 (1975) 233
8. Durig J.R., Zhu X., and Guirgis G.A. Spectrochim. Acta Part A 60 (2004) 829
9. Aarset K., Hagen K., and Stolevik R. J. Mol. Struct. 567 (2001) 157
10. Durig J.R., Pan C., and Guirgis G.A. J. Mol. Struct. 688 (2004) 95
11. Miller F.A., and Harney B.M. Appl. Spectrosc. 24 (1970) 291
12. Barnes A.J. J. Mol. Struct. 113 (1984) 161
13. Gaussian 03, Revision B.04, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J.Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian, Inc., Pittsburgh, PA, 2003.
14. Curtiss L.A., Raghavachari K., Trucks G.W., and Pople J.A. J. Chem. Phys. 94 (1991) 7221
15. Klaeboe P. Vibr. Spectrosc. 9 (1995) 3
16. Kagarise R.E. J. Chem. Phys. 24 (1956) 300
17. Aleksa V., Klaeboe P., Nielsen C.J., Tanevska V., and Guirgis G.A. Vibr. Spectrosc. 17 (1998) 1
18. Aleksa V., Klaeboe P., Horn A., Nielsen C.J., and Guirgis G.A. J. Raman Spectrosc. 29 (1998) 627
19. Aleksa V., Klaeboe P., Nielsen C.J., Guirgis G.A., Herzog K., Salzer R., and Durig J.R. J. Raman Spectrosc. 31 (2000) 897