Solvent effect on vibrational frequencies: Cryosolution experiments and density functional calculations

Journal of Molecular Structure

Volumn 480-481, Issue , 1999, Pages 499-503

  Stolov, A A ^a   Herrebout, W A ^b   Van Der Veken, B J ^b  

^a KAZAN FEDERAL UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

Ab initio calculations; Cryosolutions; Frequency shifts; Solvent effect; Vibrational spectra

Indexed keywords

ARGON; CARBONYL DERIVATIVE; ETHANE; FLUORIDE; FLUOROMETHANE; KRYPTON; SOLVENT; XENON;

CONFERENCE PAPER; FOURIER TRANSFORMATION; MOLECULAR INTERACTION; PHASE TRANSITION; VIBRATION;

EID: 0033522569     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(98)00730-3     Document Type: Conference Paper

References (19)

1. A.M. Benson, H.G. Drickamer, J. Chem. Phys. 27 (1957) 1164.
2. K.S. Schweizer, D. Chandler, J. Chem. Phys. 76 (1982) 2296.
3. Y.T. Lee, S.L. Wallen, J. Jonas, J. Chem. Phys. 96 (1982) 4282.
4. D. Ben-Amotz, D.R. Herschbach, J. Phys. Chem. 97 (1993) 2295.
5. B.C. Ghosh, S. Basu, J. Chem. Phys. 66 (1969) 903.
6. J. Tomasi, M. Persico, Chem. Rev. 94 (1994) 2027.
7. O.W. Kolling, J. Phys. Chem. 100 (1996) 16087.
8. C. Reichardt, Solvents and Solvent Effects in Organic Chemistry, VHC, Weinheim, 1990.
9. J.B. Foresman, T.A. Keith, K.B. Wiberg, J. Snoonian, M.J. Frisch, J. Phys. Chem. 100 (1996) 16098.
10. Gaussian 94, Revision B2, M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, 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 Ine, Pittsburgh PA, 1995.
11. M.W. Wong, K.B. Wiberg, J. Chem. Phys. 95 (1991) 8991.
12. E.V. Stefanovich, T.N. Truong, J. Chem. Phys. 105 (1996) 2961.
13. J.-L. Rivail, D. Rinald, V. Dillet, Mol. Phys. 89 (1996) 1521.
14. W.A. Herrebout, B.J. van der Veken, J. Am. Chem. Soc. 119 (1997) 10446.
15. A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
16. C. Lee, W. Yang, R.G. Parr, Phys. Rev. B. 37 (1988) 785.
17. I. Nakagawa, T. Shimanouchi, J. Mol. Spectr. 39 (1971) 255.
18. J.L. Duncan, D.C. McKean, G.K. Speirs, Mol. Phys. 24 (1972) 553.
19. P.D. Mallinson, D.C. McKean, J.H. Holloway, J.A. Oxton, Spectrochim. Acta Part A 31 (1975) 143.