Vibrational spectroscopic studies and ab initio calculations of a substituted amide of pyrazine-2-carboxylic acid-C12H10ClN3O

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 71, Issue 2, 2008, Pages 725-730

  Mary, Y Sheeena ^a   Varghese, Hema Tresa ^b   Panicker, C Yohannan ^c   Dolezal, Martin ^d  

^a Thushara   (India)

^b FATIMA MATA NATIONAL COLLEGE   (India)

^c TKM COLLEGE OF ARTS AND SCIENCE   (India)

^d Charles University in Prague Faculty of Pharmacy   (Czech Republic)

Author keywords

Amides of pyrazine carboxylic acid; Hartree Fock ab initio calculations; IR

Indexed keywords

ACIDS; CARBOXYLIC ACIDS; ORGANIC ACIDS; SPECTROSCOPIC ANALYSIS;

AB INITIO CALCULATIONS; HARTREE-FOCK AB INITIO CALCULATIONS; INFRARED; IR; IR SPECTRUMS; PYRAZINE; RAMAN INTENSITIES; SPECTROSCOPIC STUDIES; VIBRATIONAL ASSIGNMENTS; VIBRATIONAL FREQUENCIES;

AMIDES;

DRUG DERIVATIVE; PYRAZINAMIDE; PYRAZINOIC ACID;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; INFRARED SPECTROPHOTOMETRY; VIBRATION;

MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PYRAZINAMIDE; SPECTROPHOTOMETRY, INFRARED; VIBRATION;

EID: 54249161077     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2007.12.055     Document Type: Article

References (31)

1. Endredi C.H., Billes F., and Holly S. J. Mol. Struct. Theochem. 633 (2003) 73
2. Billes F., Mikosch H., and Holly S. J. Mol. Struct. Theochem. 423 (1998) 225
3. Pawlukojc A., Natkaniec I., Makrski Z., and Leciejewicz J. J. Mol. Struct. 516 (2000) 7
4. Raviglione M.C., Dye C., Smidt S., and Kochi A. Lancet. 35 (1997) 624
5. Houston S., and Fanny A. Drugs 48 (1996) 689
6. Snider D.E., and Castro K.G. New Engl. J. Med. 338 (1998) 1689
7. Mitchison D.A. Natur. Med. 2 (1996) 6
8. Cynamon M.H., Klemens S.P., Chou T.S., Gimi R.H., and Welch J.T. J. Med. Chem. 35 (1992) 1212
9. Bergmann K.E., Cynanon M.H., and Welch J.T. J. Med. Chem. 39 (1996) 3394
10. Good N.E. Plant Physiol. 36 (1961) 788
11. Kralova K., Sersen F., and Cizmarik J. Chem. Pap. 46 (1992) 266
12. Kralova K., Sersen F., Miletin M., and Hartal J. Chem. Pap. 52 (1998) 52
13. Kralova K., Sersen F., Kubicova L., and Waisser K. Chem. Pap. 53 (1999) 328
14. Dolezal M., Miletin M., Kunes J., and Kralova K. Molecules 7 (2002) 363
15. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery Jr. J.A., Vreven T., Kudin K.N., Burant J.C., Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J.E., Hratchian H.P., Cross J.B., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Gonzalez C., and Pople J.A. Gaussian 03, Revision C.02 (2004), Gaussian, Inc., Wallingford CT
16. Foresman J.B. In: Frisch E. (Ed). Exploring Chemistry with Electronic Structure Methods: A Guide to Using Gaussian (1996), Gaussian, Pittsburg, PA
17. Bellamy L.J. The IR spectra of Complex Molecules (1975), John Wiley and Sons, New York
18. Spire A., Berthes M., Kallouai H., and De Nunzio G. Physics D 137 (2000) 392
19. Edler J., Pfister R., Pouthier V., Falvo C., and Hamm P. Phys. Rev. Lett. 93 (2004) 106405
20. Edler J., Hamm P., and Scott A.C. Phys. Rev. Lett. 88 (2002) 067403
21. Edler J., and Hamm P. Phys. Rev. B 69 (2004) 214301
22. Barthes M., De Nunzio G., and Ribet G. Synth. Met. 76 (1996) 337
23. Colthup N.B., Daly L.H., and Wiberly S.E. Introduction to Infrared and Raman Spectroscopy (1975), Academic Press, New York
24. Roeges N.P.G. A Guide to Complete Interpretation of Infrared Spectra of Organic Structures (1994), Wiley, New York
25. Varsanyi G. Assignments for Vibrational Spectra of Seven Hundred Benzene Derivatives (1974), Wiley, New York
26. Schettino V., Sbrana G., and Righini R. Chem. Phys. Lett. 13 (1972) 284
27. Sbrana G., Schettino V., and Righini R. J. Chem. Phys. 59 (1973) 2441
28. Arenas J.F., Navarrete I.T.L., Otero J.C., Marcos J.I., and Cardenate A. J. Chem. Soc. Faraday Trans. 281 (1985) 405
29. Ptasiewicz-Bak H., and Leciejewicz J. Polish J. Chem. 71 (1997) 1350
30. Bormans B.J., de-Witr G., and Mijlhoff F.C. Spectrochim. Acta 42 (1997) 121
31. Varghese H.T., Panicker C.Y., Philip D., Sreevalsan K., and Anithakumary V. Spectrochim. Acta 68 (2007) 817