Vibrational spectra of cis and trans m-fluorostyrene in the S1 state studied by one color resonant two photon ionization and theoretical calculations

Journal of Molecular Structure

Volumn 794, Issue 1-3, 2006, Pages 320-327

  Huang, Jiangou ^a   Xiao, Daoqing ^a   Bi, Weibin ^a   Xu, Xiling ^a   Gao, Zhen ^a   Zhu, Qihe ^a   Zhang, Cunhao ^a  

^a INSTITUTE OF CHEMISTRY   (China)

Author keywords

Ab initio; Density functional theory (DFT); m Fluorostyrene; One color resonant two photon ionization (1C R2PI); Vibrational spectrum

Indexed keywords

IONIZATION; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; OPTIMIZATION; PHOTONS; PROBABILITY DENSITY FUNCTION;

AB INITIO; DENSITY FUNCTIONAL THEORY (DFT); M-FLUOROSTYRENE; ONE COLOR RESONANT TWO PHOTON IONIZATION (1C-R2PI); VIBRATIONAL SPECTRUM;

POLYSTYRENES;

EID: 33746859744     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.02.056     Document Type: Article

References (38)

1. Hollas J.M., Khalilipour E., and Thakur S.N. J. Mol. Spectrosc. 73 (1978) 240
2. Hollas J.M., and Bin Hussein M.Z. Chem. Phys. Lett. 154 (1989) 14
3. Grassian V.H., Bernstein E.R., Secor H.V., and Seeman J.I. J. Phys. Chem. 93 (1989) 3470
4. Georgiev S., Neusser H.J., and Chakraborty T. J. Chem. Phys. 120 (2004) 8015
5. Haas H., Kendler S., Zingher E., Zuckerman H., and Zilberg S. J. Chem. Phys. 103 (1995) 37
6. Hollas J.M., and Bin Hussein M.Z. Chem. Phys. Lett. 154 (1989) 228
7. Hollas J.M., and Bin Hussein M.Z. J. Mol. Spectrosc. 135 (1989) 59
8. Hollas J.M., and Bin Hussein M.Z. J. Mol. Spectrosc. 136 (1989) 31
9. Villamanan R.M., and Alonso J.L. Chem. Phys. Lett. 159 (1989) 97
10. Ribeiro-Claro P.J., and Texeira-Dias J.J. J. Raman Spectrosc. 24 (1993) 397
11. Meurisse I., Ribeiro-Claro P.J., Teixeira-Dias J.J., and Pouchan C. J. Raman Spectrosc. 26 (1995) 1033
12. Fateley W.G., Carlson G.L., and Dickson F.E. Appl. Spectrosc. 22 (1968) 650
13. Harper C.M., and Hollas J.M. Chem. Phys. Lett. 226 (1994) 577
14. Grandino-Roldan J.M., Fermamdez-Gomez M., Navarro A., Camus L.M., and Jayasooriya U.A. Phys. Chem. Chem. Phys. 4 (2002) 4890
15. Schaefer T., and Sebastian R. Chem. Phys. Lett. 163 (1989) 212
16. Tembreull R., and Lubman D.M. Anal. Chem. 56 (1984) 1962
17. Dietz T.G., Duncan M.A., Liverman M.A., and Smalley M.G. Chem. Phys. Lett. 70 (1980) 246
18. He Y., Wu C., and Kong W. J. Chem. Phys. 120 (2004) 7497
19. Philis J.G. Spectrochim. Acta A 61 (2005) 1239
20. The NIST Chemistry Webbook, Available online: http://webbook.nist.gov/
21. Hopkins J.B., Powers D.E., and Smalley R.E. J. Phys. Chem. 85 (1981) 3739
22. Zilberg S., and Haas Y. J. Chem. Phys. 103 (1995) 20
23. J. Huang, D. Xiao, W. Bi, X. Xu, Z. Gao, Q. Zhu, C. Zhang, Spectrochim. Acta. A in press.
24. Tian Z., Bi W., Deng H., Wang X., Tang Z., and Zhu Q. Chem. Phys. Lett. 400 (2004) 15
25. Wiley W.C., and McLaren I.H. Rev. Sci. Instrum. 26 (1955) 1150
26. M.J. Frisch et al., gaussian 03, Revision B.01, Gaussian, Inc., Pittsburgh, PA, 2003.
27. Drougas E., Philis J.G., and Kosmas A.M. J. Mol. Struct. (Theochem) 758 (2006) 17
28. Orlandi G., Palmieri P., Tarroni R., Zerbetti F., and Zgierski M.Z. J. Chem. Phys. 100 (1994) 2458
29. Philis J.G., Drougas E., and Kosmas A.M. Chem. Phys. 306 (2004) 253
30. He Y., Wu C., and Kong W. J. Chem. Phys. 121 (2004) 3533
31. Mizuno H., Okuyama K., Ebata T., and Ito M. J. Phys. Chem. 91 (1987) 5589
32. Ichimura T., and Suzuki T. J. Photochem. Photobiol. C 1 (2000) 79
33. Depew M.C., and Wan J.K.S. The Chemistry of Quinonoid Compounds (1988), Wiley, Singapore
34. Narayanan K., Chang G.C., Shieh K.C., Tung C.C., and Tzeng W.B. Spectrochim. Acta A 52 (1996) 1703
35. Mulliken R.S. J. Chem. Phys. 23 (1955) 1833
36. He Y., Wu C., and Kong W. J. Chem. Phys. 121 (2004) 8321
37. Wu C., He Y., and Kong W. Chem. Phys. Lett. 398 (2004) 351
38. Varsanyi G., and Szoke S. Vibrational Spectra of Benzenes Derivatives (1969), Academic Press, New York