Infrared spectra, vibrational assignment, and ab initio calculations for N-bromo-hexafluoro-2-propanimine

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 90, Issue , 2012, Pages 118-124

  Panikar, Savitha S ^a   Guirgis, Gamil A ^b   Sheehan, Tracie G ^a   Durig, Douglas T ^c   Durig, James R ^a  

^a UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

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

^c UNIVERSITY OF THE SOUTH   (United States)

Author keywords

Ab initio calculations; Infrared spectra; N bromo hexafluoro 2 propanimine; Vibrational assignment

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO MP2; GROUP FREQUENCY; INFRARED BANDS; INFRARED SPECTRUM; N-BROMO-HEXAFLUORO-2-PROPANIMINE; NORMAL COORDINATE; NORMAL MODES; POTENTIAL ENERGY DISTRIBUTION; STRUCTURAL PARAMETER; VIBRATIONAL ASSIGNMENT;

SPECTROSCOPY;

CALCULATIONS;

BROMINE; DRUG DERIVATIVE; HEXAFLUORO 2 PROPANOL; IMINE; N BROMO HEXAFLUORO 2 PROPANIMINE; N-BROMO-HEXAFLUORO-2-PROPANIMINE; PROPANE; PROPANOL;

ARTICLE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; LIGHT; RAMAN SPECTROMETRY; VIBRATION;

BROMINE; IMINES; LIGHT; PROPANE; PROPANOLS; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 84857987501     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.01.007     Document Type: Article

References (31)

1. J.R. Durig, C. Zheng, and T.K. Gounev J. Phys. Chem. A 110 2006 5674
2. J.R. Durig, A. Ganguly, A.M. El Defrawy, G.A. Guirgis, T.K. Gounev, W.A. Herrebout, and B.J. van der Veken J. Mol. Struct. 918 2009 64
3. J.R. Durig, A. Ganguly, C. Zheng, G.A. Guirgis, W.A. Herrebout, B.J. van der Veken, and T.K. Gounev J. Mol. Struct. 968 2010 36
4. J.R. Durig, S.S. Panikar, T. Iwata, and T.K. Gounev J. Mol. Struct. 984 2010 58
5. J.R. Durig, A. Ganguly, G.A. Guirgis, S. Bell, and T.A. Mohamed Struct. Chem. 20 2009 489
6. W. Lin, A. Ganguly, A.J. Minei, G.L. Lindeke, W.C. Pringle, S.E. Novick, and J.R. Durig J. Mol. Struct. 922 2009 83
7. J.R. Durig, A. Ganguly, A.M. El Defrawy, H.M. Badawi, W.A. Herrebout, B.J. van der Veken, G.A. Guirgis, T.K. Gounev, and C. Zheng J. Mol. Struct. 922 2009 114
8. R.L. Hilderbrandt, A.L. Andreassen, and S.H. Bauer J. Phys. Chem. 74 1970 1586
9. J.R. Durig, N.E. Lindsay, and T.G. Sheehan J. Raman Spectrosc. 20 1989 473
10. J.R. Durig, S.M. Craven, and W.C. Harris J.R. Durig, Vibrational Spectra and Structure Vol. 1 1972 Marcel Dekker, Inc. New York (Chapter 4)
11. J.R. Durig, A.R. Fanning, T.G. Sheehan, and G.A. Guirgis Spectrochim. Acta A 47 1991 279
12. J.R. Durig, G.A. Guirgis, A.R. Fanning, and R.A. Larsen J. Mol. Struct. 174 1988 183
13. A.D. Lopata, and J.R. Durig J. Raman Spectrosc. 6 1977 61
14. W.J. Middleton, and C.G. Krespan J. Org. Chem. 30 1965 1398
15. 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, V. Bakken, 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, and J.A. Pople Gaussian 03. Revision E. 01 2004 Gaussian, Inc. Wallingford, CT
16. P. Pulay Mol. Phys. 17 1969 197
17. K.D. Hensel, M.E. Lam, M.C.L. Gerry, and H. Willner J. Mol. Spectrosc. 151 1992 184
18. P. Groner, H. Nanaie, J.R. Durig, D.D. DesMarteau, and C.W. Bauknight Jr. J. Chem. Phys. 91 1989 5934
19. G. Forgarasi, and F. Pulay J.R. Durig, Vibrational Spectra and Structure vol. 14 1985 Elsevier Amsterdam (Chapter 3)
20. B.A.O'Brien, J.S. Thrasher, C.W. Bauknight, M.L. Robin Jr., and D.D. DesMarteau J. Am. Chem. Soc. 106 1984 4266
21. S.C. Chang, and D.D. DesMarteau Inorg. Chem. 22 1983 805
22. C.O. Della Vedova, S.E. Ulic, A. Ben Altabef, and P.J. Aymonino Z. Phys. Chem. (Leipzig) 268 1987 445
23. T.C. Devore J. Mol. Struct. 162 1987 287
24. J.R. Durig, X. Zhou, N.E. Durig, D. Nguyen, and D.T. Durig J. Mol. Struct. 917 2009 37
25. J.R. Durig, S.X. Zhou, A.X. Garner, and N.E. Durig J. Mol. Struct. 922 2009 11
26. G.A. Gurigis, J.R. Durig, and Y.S. Li J. Chem. Phys. 83 1985 1507
27. J.R. Durig, F.O. Cox, P. Groner, and B.J. van der Veken J. Phys. Chem. 91 1987 3211
28. J.R. Durig, and T.G. Sheehan Struct. Chem. 2 1990 473
29. Y.S. Li, R.A. Larsen, F.O. Cox, and J.R. Durig J. Raman Spectrosc. 20 1989 1
30. D.A.C. Compton J.R. Durig, Vibrational Spectra and Structure vol. 9 1981 Elsevier Amsterdam (Chapter 5)
31. P. Groner, J.F. Sullivan, and J.R. Durig J.R. Durig, Vibrational Spectra and Structure vol. 9 1981 Elsevier Amsterdam