FTIR and Raman spectra and SQM force field calculation for vibrational analysis of 2,3,4- and 2,3,6-tri-fluoro-anilines

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 73, Issue 1, 2009, Pages 44-53

  Mukherjee, V ^a   Singh, Karunakar ^a   Singh, N P ^a   Yadav, R A ^b  

^a UDAI PRATAP AUTONOMOUS COLLEGE   (India)

^b BANARAS HINDU UNIVERSITY   (India)

Author keywords

2,3,4 and 2,3,6 Tri fluoro anilines; ab initio calculations; FTIR spectra; Molecular geometries; Normal coordinate analysis; Raman spectra

Indexed keywords

2,3,4- AND 2,3,6-TRI-FLUORO-ANILINES; AB INITIO CALCULATIONS; FTIR SPECTRA; MOLECULAR GEOMETRIES; NORMAL COORDINATE ANALYSIS; RAMAN SPECTRA;

ANILINE; DEPOLARIZATION; FLUORINE; FOURIER TRANSFORM INFRARED SPECTROSCOPY; GEOMETRY; MOLECULES; NEGATIVE IONS; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

POTASSIUM COMPOUNDS;

2,3,4 TRI FLUORO ANILINE; 2,3,4-TRI-FLUORO-ANILINE; 2,3,6 TRI FLUORO ANILINE; 2,3,6-TRI-FLUORO-ANILINE; ANILINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; METHODOLOGY; RAMAN SPECTROMETRY; VIBRATION;

ANILINE COMPOUNDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 62849117292     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.01.024     Document Type: Article

References (43)

1. Ribeiro da Silva M.A.V., Ferreira A.I.M.C.L., and Gomes J.R.B. J. Phys. Chem. B 111 (2007) 2052
2. Evans J.C. Spectrochim. Acta 16 (1960) 428
3. Kumpawat M.P., Ojha A., and Patel N.D. Can. J. Spectrosc. 25 (1980) 1
4. Bellamy L.J., and Williams R.L. Spectrochim. Acta 9 (1957) 341
5. Niu Z., Dunn K.M., and Boggs J.E. Mol. Phys. 55 (1985) 421
6. Yadav R.A., Yadav R.K., and Singh N.P. Spectrochim. Acta 64 (2006) 454
7. Rai A.K., Kumar S., and Rai A. Vib. Spectrosc. 42 (2006) 397
8. Kurt M., Yurdakul M., and Yurdakul S. J. Mol. Struct. (Theochem) 711 (2004) 25
9. Ventura M.C., and Kassab E. Spectrochim. Acta 50 (1994) 69
10. Kumar D.V., Babu V.A., Rao G.R., and Pandey G.C. Vib. Spectrosc. 4 (1992) 39
11. Shukla A.R., Ashathana B.P., Dongre N.G., and Pathak C.M. Vib. Spectrosc. 3 (1992) 245
12. Yadav R.A., and Singh I.S. Spectrochim. Acta 41 (1985) 191
13. Green J.H.S., Harrison D.J., and Stockley C.P. Spectrochim. Acta 33 (1977) 423
14. Tocon I.L., Becucci M., Pietraperzia G., Castellucci E., and Otero J.C. J. Mol. Struct. 565 (2001) 421
15. Kydd R.A., and Krueger P.J. J. Chem. Phys. 69 (1978) 827
16. Yadav R.K., Singh N.P., and Yadav R.A. Ind. J. Phys. 77B (2003) 421
17. Wojciechowski P.M., and Michalska D. Spectrochim. Acta 68 (2007) 948
18. Akalin E., and Akyüz S. J. Mol. Struct. 482 (1999) 175
19. Palafox M.A., Núñez J.L., and Gil M. J. Mol. Struct. (Theochem) 593 (2002) 101
20. Piest H., Helden G.V., and Meijer G. J. Chem. Phys. 110 (1999) 2010
21. Seeger D.M., Korzeniewski C., and Kowalchyk W. J. Phys. Chem. 95 (1991) 6871
22. Borisenko V.E., Baturin A.V., Przeslawska M., and Koll A. J. Mol. Struct. 407 (1997) 53
23. Tzeng W.B., Narayanan K., Shieh K.C., and Tung C.C. J. Mol. Struct. (Theochem) 428 (1998) 231
24. Shashidhar K., Suryanarayana R.K., and Jayadevappa E.S. Spectrochim. Acta 26 (1970) 2373
25. Tiwari S.K., and Upadhya K.N. Indian J. Pure Appl. Phys. 6 (1968) 696
26. Shashidhar M.A., and Suryanarayana R.K. Indian J. Pure Appl. Phys. 4 (1966) 170
27. Singh S.N., and Singh N.L. Indian J. Pure Appl. Phys. 7 (1969) 250
28. Honda M., Fujii A., Fujimaki E., Ebata T., and Mikami N. J. Phys. Chem. A 107 (2003) 3678
29. Mukherjee V., Singh K., Singh N.P., and Yadav R.A. Vib. Spectrosc. 47 (2008) 26
30. Mukherjee V., Singh K., Singh N.P., and Yadav R.A. Spectrochim. Acta 71 (2008) 1571
31. In: Seminario J.M., and Politzer P. (Eds). Modern Density Functional Theory: A Tool for Chemistry vol. 2 (1995), Elsevier, Amsterdam
32. Becke A.D. J. Chem. Phys. 98 (1993) 5648
33. Becke B.D. Phys. Rev. B 38 (1988) 3098
34. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
35. Hehre W.J., Random L., Schleyer P.V.R., and Pople J.A. ab initio Molecular Orbital Theory (1986), Wiley, New York
36. M.J. Frisch et al., Gaussian 03, Revision C.02, Gaussian, Inc., Wallingford, CT, 2004.
37. Sundius T. J. Mol. Struct. 218 (1990) 321
38. Keresztury G., Holly S., Besenyei G., Varga J., Wang A.Y., and Durig J.R. Spectrochim. Acta 49 A (1993) 2007
39. Keresztury G. In: Chalmers J.M., and Griffith P.R. (Eds). Raman spectroscopy: Theory in Handbook of Vibrational Spectroscopy, vol. 1 (2002), John Wiley & Sons Ltd., New York 71-87
40. Fukuyo M., Hirotsu K., and Higuchi T. Acta Crystallogr. B38 (1982) 640
41. Colapietro M., Domenicano A., Marciante C., and Portalone G. Acta Crystallogr. B37 (1981) 387
42. Eaton V.J., and Steel D. J. Mol. Spectrosc. 48 (1973) 446
43. Pearce R.A.R., Steel D., and Radcliffe K.J. J. Mol. Struct. 15 (1973) 409