Theoretical investigation of absorption spectrum of SO2 molecule: Including S1-S2 vibronic coupling

Computational and Theoretical Chemistry

Volumn 978, Issue 1-3, 2011, Pages 1-6

  Dehestani, M ^a   Mansoori Kermani, M ^a  

^a SHAHID BAHONAR UNIVERSITY OF KERMAN   (Iran)

Author keywords

Absorption spectrum; Displaced distorted rotated oscillator model; Sulfur dioxide molecule; Time correlation theory; Vibronic coupling

Indexed keywords

EID: 84555163607     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.08.005     Document Type: Article

References (40)

1. Ma G.B., Chen R.Q., Guo H. J. Chem. Phys. 1999, 110:8408-8416.
2. Zuniga J., Bastida A., Requena A. J. Chem. Phys. 2001, 115:139-148.
3. Rodrigues S.P.J., Varandas A.J.C. J. Phys. Chem. A 2003, 107:5369-5374.
4. Ray P.C., Arendt M.F., Butler L.J. J. Chem. Phys. 1998, 109:5221-5230.
5. Lafferty W.J., Flaud J.M. J. Mol. Spectros. 1998, 188:106-107.
6. Zen C.C., Chen I.C., Lee Y.P. J. Phys. Chem. A 2000, 104:771-776.
7. Yamanouchi K., Takeuchi S., Tsuchiya S. J. Chem. Phys. 1990, 92:4044-4054.
8. Stricker S.J., Howell D.B. J. Chem. Phys. 1968, 49:1947-1951.
9. Henneker W.H., Siebrand W., Zgierski M.Z. Chem. Phys. Lett. 1979, 68:5-8.
10. Vikesland J.P., Stricker S.J. J. Chem. Phys. 1974, 60:660-663.
11. Baskin J.S., Al-Adel F., Hamdan A. Chem. Phys. 1995, 200:181-199.
12. Sako T., Yamanouchi K., Iachello F. Chem. Phys. Lett. 1999, 299:35-41.
13. Hamada Y., Merer A.J. Can. J. Phys. 1975, 53:2555-2576.
14. Holtermann D.L., Lee E.K.C., Nanes R. J. Phys. Chem. 1983, 87:3926-3933.
15. Zhang Y.F., Wang M.S., Ma M.Z., Ma R.C. J. Mol. Struct., Theochem 2008, 859:7-10.
16. Metropolis N. Phys. Rev. 1941, 60:295-301.
17. Gardner P.J. Chem. Phys. Lett. 1969, 4:167-169.
18. Brand J.C., Nanes R. J. Mol. Spectrosc. 1973, 46:194-199.
19. Shaw R.J., Kent J.E., O'Dwyer M.F. Chem. Phys. 1976, 18:155-165.
20. Kimel S., Feldmann D., Laukemper J., Welge K.H. J. Chem. Phys. 1982, 76:4893-4903.
21. Hillier I.H., Sanders V.R. Mol. Phys. 1971, 22:193-201.
22. Katagiri H., Sako T., Hishikawa A., Yazaki T., Onda K., Yamanouchi K. J. Mol. Struct. 1997, 413:589-614.
23. Henri V. Nature 1930, 125:275.
24. Clements J.H. Phys. Rev. 1935, 47:224-232.
25. Asundi R.K., Samuel R. Proc. Ind. Acad. Sci. 1935, A2:30.
26. Hearn C.H., Joens J.A. J. Quant. Spectrosc. Radiat. Transfer 1991, 45:69-75.
27. Bogumil K., Orphal J., Homann T., Voigt S., Spietz P., Fleischmann O.C., Vogel A., Hartmann M., Kromminga H., Bovensmann H., Frerick J., Burrows J.P. J. Photochem. Photobio. Chem. 2003, 157:167-184.
28. Vandaele A.C., Simon P.C., Guilmot J.M., Carleer M., Colin R. J. Geophys. Res. 1994, 99:25599-25605.
29. Hermans C., Vandaele A.C., Fally S. J. Quant. Spectrosc. Radiat. Transfer 2009, 110:756-765.
30. Islampour R., Dehestani M., Lin S.H. Mol. Phys. 2000, 98:101-110.
31. Dehestani M., Islampour R. Int. J. Quantum Chem. 2005, 103:119-126.
32. Dehestani M. J. Raman Spectrosc. 2009, 40:696-702.
33. Dehestani M., Akbari E. J. Raman Spectrosc. 2011, 42:1640-1652.
34. Raab A., Worth G.A., Meyer H.-D., Cederbaum L.S. J. Chem. Phys. 1999, 110:936-946.
35. 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. Millan, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Peterson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakatjima, Y. Hoda, O. kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, 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. Zakrezevski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malik, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, 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. Gonzales, J. A. Pople, Gaussian 03, Inc, Wallingford CT, 2004.
36. Heicklen J., Kelly N., Partymiller K. Rev. Chem. Intermed. 1980, 3:315-404.
37. Anyang L., Bing S., Zhenyi W., Yubin W. Sci. China Ser. B: Chem. 2006, 49:289-295.
38. Lu C.W., Wu Y.J., Lee Y.P., Zhu R.S., Lin M.C. J. Phys. Chem. A 2003, 107:11020-11029.
39. Jürgensen A., Cavell R.G. Chem. Phys. 2000, 257:123-133.
40. Wolfram Research, Inc. Mathematica,V. 5.2, Wolfram Research, Inc., 1988-2005.