Force field calculations and reassigments of Raman and IR frequencies of pyrazine-N,N′-dioxide

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 66, Issue 4-5, 2007, Pages 964-971

  Yadav, R A ^a   Mukherjee, V ^b   Kumar, Manoj ^a   Singh, Rashmi ^a  

^a BANARAS HINDU UNIVERSITY   (India)

^b UDAI PRATAP AUTONOMOUS COLLEGE   (India)

Author keywords

Force constants; Force field calculations; Fundamental frequencies; IR spectra; Normal mode assignments; Raman spectra

Indexed keywords

FORCE CONSTANTS; FORCE FIELD CALCULATIONS; FUNDAMENTAL FREQUENCIES; NORMAL MODE ASSIGNMENTS;

FORCE MEASUREMENT; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; RAMAN SPECTROSCOPY;

NITROGEN COMPOUNDS;

AMINE OXIDE; PYRAZINE DERIVATIVE; PYRAZINE N,N' DIOXIDE; PYRAZINE-N,N'-DIOXIDE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; RAMAN SPECTROMETRY; VIBRATION;

CYCLIC N-OXIDES; MODELS, CHEMICAL; PYRAZINES; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 33847278306     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.05.008     Document Type: Article

References (13)

1. De Clercq E. AIDS Res. Hum. Retrov. 8 (1992) 119
2. Cram D.J., and Hammond G.S. Organic Chemistry (1964), McGraw-Hill, New York
3. Boese A.D., and Martin J.M.L. J. Phys. Chem. A 108 (2004) 3085
4. Billes F., Mikosch H., and Holly S. J. Mol. Struct. 423 (1998) 225
5. Szöke S., Gelleri A., and Baitz E. Acta Chim. 48 (1966) 343
6. Gambi A., and Ghersetti S. Spectrosc. Lett. 10 (1977) 627
7. Szöke S., Varsanyi G., and Baitz E. Acta Chim. 54 (1967) 45
8. Szöke S., Varsanyi G., and Baitz E. Acta Chim. 53 (1967) 345
9. Sun H.-L., Gao S., Ma B.-Q., and Su G. Inorg. Chem. 42 (2003) 5399
10. Thornton D.A., Verhoeven P.F.M., Watkins G.M., Desseyn H.O., and Van der Veken B.J. Spectrochim. Acta 46A (1990) 1439
11. Näther C., Kowallik P., and Jeß I. Acta Cryst. E58 (2002) 01253
12. J.H. Schachtschncider, Vibrational Analysis of Polyatomic Molecules, Part V and VI Tech. Report nos. 231 and 57, Shell Development Co., Emeryville, CA (1964 and 1965).
13. Herzberg G. Molecular Spectra and Molecular Structure vol. II (1951), D. Van Nostrand Co. Inc., New York p. 366