Structure and vibrational frequencies of 2-butanimine

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 59, Issue 11, 2003, Pages 2593-2601

  Zhou, Zhengyu ^a,b   Zhou, Xinming ^a   Fu, Hui ^a   Fu, Aiping ^a   Du, Dongmei ^a  

^a QUFU NORMAL UNIVERSITY   (China)

^b SHANDONG UNIVERSITY   (China)

Author keywords

2 Butanimine molecule; Density functional theory; Vibrational spectra

Indexed keywords

CONFORMATIONS; FREQUENCIES; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

VIBRATIONAL SPECTRA;

MOLECULAR VIBRATIONS;

IMINE;

ARTICLE; CHEMISTRY; SPECTROSCOPY; STATISTICAL ANALYSIS;

DATA INTERPRETATION, STATISTICAL; IMINES; SPECTRUM ANALYSIS;

EID: 0042283670     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(03)00042-8     Document Type: Article

References (23)

1. Egawa T., Konaka S.J. Phys. Chem. A. 105:2001;2085.
2. Braillon B., Lasne M.C., Ripoll J.L., Denis J.M. Nouv. J. Chim. 6:1982;121.
3. Guillemin J.C., Denis J.M. Angew. Chem., Int. Ed. Engl. 21:1982;690.
4. Guillemin J.C., Denis J.M. Tetrahedron. 44:1988;44315.
5. Paulay P., Fogarasi G., Pongor G., Boggs J.E., Vargha A. J. Am. Chem. Soc. 105:1983;7073.
6. Botschwina P. Chem. Phys. Lett. 29:1974;98.
7. Blom C.E., Altona C. Mol. Phys. 31:1976;1377.
8. Fogarasi G., Paulay P., Molt K., Sawodny W. Mol. Phys. 33:1977;1565.
9. Kohn W., Sham L.J. Phys. Rev. A140:1965;1133.
10. Andzelm J., Wimmer E. J. Chem. Phys. 96:1992;1280.
11. Gill P.M.W., Johnson B.G., Pople J.A., Frisch M.J. Chem. Phys. Lett. 197:1992;449.
12. Johnson B.G., Gill P.M.W., Pople J.A. J. Chem. Phys. 97:1992;7846.
13. Gill P.M.W., Johnson B.G., Pole J.A., Frisch M.J. Int. J. Quantum Chem. Symp. 26:1992;319.
14. Johnson B.G., Gill P.M.W., Pole J.A. J. Chem. Phys. 98:1993;5612.
15. Scottt A.P., Radom L. J. Phys. Chem. 100:1996;16502.
16. Wong M.W. Chem. Phys. Lett. 256:1996;391.
17. Becke A.D. Phys. Rev. A38:1988;3098.
18. Lee C., Yang W., Parr R.G. Phys. Rev. B37:1988;785.
19. Dewar M.J.S., Ford G.P. J. Am. Chem. Soc. 99:1977;1685.
20. Miehlich B., Savin A., Stool H., Preuss H. Chem. Phys. Lett. 157:1988;200.
21. Hehre W.J., Ditchfield R.D., Pople J.A. J. Chem. Phys. 56:1972;2257.
22. 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. Stevanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Repogle, R. Gomperts, R.L. Martin, D.J. Fox, J.L.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian 94. Revision E.1., Gaussian Inc., Pittsburgh PA., 1995.
23. Rauhut G., Pulay P. J. Phys. Chem. 99:1995;3039.