DFT calculation and Raman excitation profile studies of benzophenone molecule

Vibrational Spectroscopy

Volumn 44, Issue 2, 2007, Pages 331-342

  Sett, P ^a   Misra, T ^b   Chattopadhyay, S ^c   De, A K ^d   Mallick, P K ^b  

^a Gobardanga Hindu College   (India)

^b UNIVERSITY OF BURDWAN   (India)

^c DEPARTMENT OF MATERIALS SCIENCE   (India)

^d HALDIA INSTITUTE OF TECHNOLOGY   (India)

Author keywords

Excited electronic states; Molecular configuration; Quantum chemical calculation; Raman excitation profile; Sum over states method; Vibrational spectra

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; EXCITED STATES; MOLECULAR STRUCTURE; RAMAN SPECTROSCOPY; VIBRATIONAL SPECTRA;

EXCITED ELECTRONIC STATES; MOLECULAR CONFIGURATION; QUANTUM CHEMICAL CALCULATION; RAMAN EXCITATION PROFILES; SUM OVER STATES METHOD;

MOLECULAR DYNAMICS;

EID: 34249060637     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2007.02.004     Document Type: Article

References (54)

1. Shim S.C., Kim D.W., and Keins M.S. J. Photochem. Photobiol. 56A (1991) 227
2. Dubroca C., and Lazaro P. Chem. Phys. Letts. 24 (1974) 49
3. Jana P., Ganguly T., Sarkar S.K., Mitra A., and Mallick P.K. J. Photochem. Photobiol. 94A (1996) 113
4. Sarkar S.K., and Ganguly T. Bull. Chem. Soc. Jpn. 63 (1990) 2372
5. Chakraborty S., Sarkar S.K., and Mallick P.K. Chem. Phys. Lett. 187 (1991) 93
6. Sarkar S.K., and Kastha G.S. Spectrochim. Acta 48A (1992) 1611
7. Pal T.K., Mallick G.K., Laha S., Chatterjee K., Ganguly T., and Banerjee S.B. Spectrochim. Acta 43A (1987) 853
8. Pal S.K., Sahu T., Mishra T., Mallick P.K., Paddon-Row M.A., and Ganguly T. J. Phys. Chem. 108A (2004) 10395
9. Jana P., and Ganguly T. Spectrochim. Acta 49A (1993) 1515
10. Marconi G. J. Raman Spectrosc. 22 (1991) 361
11. Marconi G., and Zgierski M.Z. J. Mol. Struct. Theochem. 105 (1983) 259
12. Zerbetta F., and Zgierski M.Z. Chem. Phys. 110 (1986) 421
13. Chatterjee S., Jana P., Mitra A., Sarkar S.K., Ganguly T., and Mallick P.K. J. Raman Spectrosc. 28 (1997) 559
14. Sett P., Paul N., Chatterjee S., and Mallick P.K. J. Raman Spectrosc. 30 (1999) 277
15. Sett P., Chattopadhyay S., and Mallick P.K. Spectrochim. Acta 56A (2000) 855
16. Sett P., Chattopadhyaya S., and Mallick P.K. J. Mol. Spectrosc. 202 (2000) 24
17. Sett P., Chattopadhyaya S., and Mallick P.K. Chem. Phys. Lett. 331 (2000) 215
18. Sett P., De A.K., Chattopadhyaya S., and Mallick P.K. Chem. Phys. 276 (2002) 211
19. Mishra T., De A.K., Chattopadhyaya S., Mallick P.K., and Sett P. Spectrochim. Acta 61A (2005) 767
20. Mitra A., and Mallick P.K. Indian J. Phys. 68B (1994) 47
21. Okamoto H., Hamaguchi H., and Tasumi M. J. Raman Spectrosc. 20 (1989) 751
22. Heller E.J. Acc. Chem. Res. 14 (1981) 368
23. Heller E.J., Sundberg R.N., and Tannor D. J. Phys. Chem. 86 (1982) 1822
24. Page J.B., and Tonks D.L. J. Chem. Phys. 75 (1984) 5694
25. Tonks D.L., and Page J.B. Chem. Phys. Lett. 79 (1981) 247
26. Tonks D.L., and Page J.B. Chem. Phys. Lett. 66 (1979) 449
27. Hizhnyakov V., and Tehver I. J. Raman Spectrosc. 24 (1993) 653
28. Islampour R., Hayashi M., and Lin S.H. J. Raman Spectrosc. 28 (1997) 331
29. Hoskin L.S., Pham A.X., and Rutt G.C. J. Raman Spectrosc. 21 (1996) 543
30. Biancalana A., Compani E., Domenico D.D., Gorini G., and Masetti G. J. Raman Spectrosc. 24 (1993) 43
31. de Oliveira L.F.C., Santos P.S., and Rebeiro M.C. J. Raman Spectrosc. 28 (1997) 53
32. Rebeiro M.C.C., Baretto W.J., and Santos P.S. J. Raman Spectrosc. 25 (1994) 923
33. Rebeiro M.C.C., deOliveira L.F.C., Constantino V.R.L., Toma H.E., and Santos P.S. J. Raman Spectrosc. 24 (1993) 431
34. Albrecht A.C. J. Chem. Phys. 34 (1961) 1476
35. Tang T., and Albrecht A.C. In: Szymansks H.A. (Ed). Raman Spectroscopy, Theory and Practice vol. 2 (1970), Plenum Press, New York (Chapter 2)
36. Albrecht A.C., and Hutley M.C. J. Chem. Phys. 55 (1971) 4438
37. Kamei S., Sato T., Mikami N., and Ito M. J. Phys. Chem. 90 (1986) 5615
38. Peterson G.A., and Al-Laham M.A. J. Chem. Phys. 94 (1991) 6081
39. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery Jr. J.A., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J., BOrtiz J.V., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi J., Cioslowski I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Gonzalez C., Challacombe M., Gill P.M.W., Johnson B.G., Chen W., Wong M.W., Andres J.L., Gordon M.H., Replogle E.S., and Pople J.A. Gaussian 98, Revision A.7 (1998), Gaussian Inc., Pittsburgh, PA
40. Jacquemin D., Preat J., and Perpete E.A. Chem. Phys. Lett. 40 (2005) 254
41. Jacquemin D., Preat J., Charlot M., Wathelet V., Andre J.M., and Perpete E.A. J. Chem. Phys. 121 (2004) 1736
42. Cossi M., and Barone V. J. Chem. Phys. 115 (2001) 4708
43. Bhattachrya S., Pradhan T.K., De A., Chaudhury S.R., De A.K., and Ganguly T. J. Phys. Chem. A 110 (2006) 5665
44. Cances E., and Mennucci B. J. Math. Chem. 23 (1998) 309
45. Cances E., Mennucci B., and Tomasi J. J. Chem. Phys. 107 (1997) 3032
46. Mennucci B., Cances E., and Tomasi J. J. Phys. Chem. 101 (1997) 10506
47. Volovsek V., Baranovic G., Colombo L., and Durig J.R. J. Raman Spectrosc. 22 (1991) 35
48. Scott A.P., and Radom L. J. Phys. Chem. 10 (1996) 16502
49. Rauhut G., and Pulay P. J. Phys. Chem. 99 (1995) 3093
50. Sett P., Chattopadhyaya S., and Mallick P.K. J. Raman Spectrosc. 31 (2000) 177
51. Gambi A., Giorgianni S., Passerini A., Visinoni R., and Ghersetti S. Spectrochim. Acta 36A (1980) 871
52. Varsanyi G. Vibrational Spectra of Benzene Derivatives (1969), Academic Press, New York p. 394
53. Blazevic J., and Colombo L. J. Raman Spestrosc. 11 (1981) 143
54. Ghosal S.K., Sarkar S.K., and Kastha G.S. Bull. Chem. Soc. Jpn. 54 (1981) 3556