FTIR, FT-Raman spectra and ab initio DFT vibrational analysis of 2-amino-5-chloropyridine

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 64, Issue 3, 2006, Pages 586-594

  Sundaraganesan, N ^a   Ilakiamani, S ^a   Anand, B ^a   Saleem, H ^a   Joshua, B Dominic ^b  

^a ANNAMALAI UNIVERSITY   (India)

^b Sri Aravindar Arts and Science College   (India)

Author keywords

2 Amino 5 chloropyridine; FTIR and FT Raman spectra: Ab initio and DFT; Vibrational analysis

Indexed keywords

2-AMINO-5-CHLOROPYRIDINE; FTIR AND FT-RAMAN SPECTRA: AB INITIO AND DFT; VIBRATIONAL ANALYSIS;

AMINO ACIDS; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; RELAXATION PROCESSES; VIBRATION MEASUREMENT;

FOURIER TRANSFORM INFRARED SPECTROSCOPY;

2 AMINO 5 CHLOROPYRIDINE; 2-AMINO-5-CHLOROPYRIDINE; PYRIDINE DERIVATIVE;

ARTICLE; CHEMISTRY; INFRARED SPECTROSCOPY; RAMAN SPECTROMETRY;

PYRIDINES; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 33646476541     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2005.07.061     Document Type: Article

References (30)

1. Sasaki K., Kuwano, and Aida K. J. Inorg. Nucl. Chem. 43 (1981) 485
2. Sanyal N.K., Srivastava S.L., and Devi A. Ind. J. Pure Appl. Phys. 21 (1983) 56
3. K. Settu, Ph.D. Thesis, Pondicherry University, 1993.
4. Topacle A., and Bayari S. Spectrochim. Acta Part A 57 (2001) 1385
5. Medhi R.N., Barman R., Medhi K.C., and Jois S.S. Spectrochim. Acta Part A 56 (2000) 1523
6. Lopez Tocon I., Woolley M.S., Otero J.C., and Marcos J.J. J. Mol. Struct. 470 (1998) 241
7. Krishnakumar V., and John Xavier R. Spectrochim. Acta Part A 61 (2005) 253
8. Fogarasi G., and Puley P. In: Durrg J.R. (Ed). Vibrational Spectra and Structure vol. 14 (1985), Elsevier, Amsterdam 125-219 (Chapter 3)
9. Pulay P. In: Schaefar III H.F. (Ed). Application of Electronic Structure Theory, Odern Theoretical Chemistry vol. 4 (1997), Plenum, New York 153
10. Panchenko Y.N. J. Mol. Struct. 567 (2001) 217
11. 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, 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, J.A. Pople, Gaussian, Inc., Wallingford, CT, 2004.
12. Schlegel H.B. J. Comput. Chem. 3 (1982) 214
13. Hohenberg P., and Kohn W. Phys. Rev. 136 (1964) B864
14. Becke A.D. J. Chem. Phys. 98 (1993) 1372 ibid 5648
15. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
16. Frisch A., Nielson A.B., and Holder A.J. GAUSSVIEW User Manual (2000), Gaussian, Inc., Pittsburgh, PA
17. Rastogi K., Palafox M.A., Tanwar R.P., and Mittal L. Spectrochim. Acta A 58 (2002) 1989
18. Silverstein M., Clayton Basseler G., and Morill C. Spectrometric Identification of Organic Compounds (1981), Wiley, New York
19. Becke D. J. Phys. Chem. 98 (1993) 5648
20. Shanmugam R., and Sathyanarayana D. Spectrochim. Acta A 40 (1984) 764
21. Yadav R.A., and Sing I.S. Ind. J. Pure Appl. Phys. 23 (1985) 626
22. Wiberg K.B., and Shrake A. Spectrochim. Acta A 29 (1973) 583
23. Sing N.P., and Yadav R.A. Ind. J. Phys. B 75 4 (2001) 347
24. Bakiler M., Maslov I.V., and Akyiiz S. J. Mol. Struct. 475 (1999) 83
25. Zierkiewiez W., Michalska D., and Zeegers-Huyskens Th. J. Phys. Chem. A 104 (2000) 11685
26. Varsanyi G. Assignments for Vibrational Spectra of Seven Hundred Benzene Derivatives vol. 1-2 (1974), Adam Hilger
27. Mooney E.F. Spectrochim. Acta 20 (1964) 1021
28. Mooney E.F. Spectrochim. Acta 19 (1963) 877
29. Prystupa D.A., Anderson A., and Torrie B.H. J. Raman Spectrosc. 25 (1994) 175
30. Alcolea Palafox M. Int. J. Quant. Chem. 77 (2000) 661