Illustrative direct ab initio calculations of surface Raman spectra

Physical Chemistry Chemical Physics

Volumn 7, Issue 3, 2005, Pages 475-482

  Johansson, Patrik ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

PYRIDINE; SILVER;

ARTICLE; CHEMICAL STRUCTURE; ELECTRIC FIELD; ENERGY TRANSFER; EQUILIBRIUM CONSTANT; MATHEMATICAL ANALYSIS; POLARIZATION; RAMAN SPECTROMETRY; VIBRATION;

METALS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PYRIDINES; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 13844272729     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b415535a     Document Type: Article

References (45)

1. M. Fleischmann, P. J. Hendra and A. J. McQuillan, Chem. Phys. Lett., 1974, 26, 163.
2. D. K. Lambert, Electrochim. Acta, 1996, 41, 623.
3. D. K. Lambert, J. Chem. Phys., 1991, 94, 6237.
4. F. C. Nart and T. Iwasita, Electrochim. Acta, 1996, 41, 631.
5. N. A. Hush and M. L. Williams, J. Mol. Spectrosc., 1974, 50, 349.
6. M. Head-Gordon and J. C. Tully, Chem. Phys., 1993, 175, 37.
7. J. Jiang, K. Bosnick, M. Mailard and L. Brus, J. Phys. Chem., 2003, 107, 9964.
8. A. Campion and P. Kambhampati, Chem. Soc. Rev., 1998, 27, 241.
9. K. Kneipp, H. Kneipp, I. Itzkan, R. R. Dasari and M. S. Feld, Chem. Rev., 1999, 99, 2957.
10. M. Moskovits, Rev. Mod. Phys., 1985, 57, 783.
11. X. S. Nie and J. K. Trautman, Annu. Rev. Phys. Chem., 1998, 49, 441.
12. Y. C. Cao, R. Jin and C. A. Mirkin, Science, 2002, 297, 1536.
13. D. L. Jeanmaire and R. P. VanDuyne, Electroanal. Chem., 1977, 84, 1.
14. M. G. Albrecht and J. A. Creighton, J. Am. Chem. Soc., 1977, 99, 5215.
15. J. Billman, G. Kovacs and A. Otto, Surf. Sci., 1980, 92, 153.
16. J. A. Creighton, Surf. Sci., 1983, 124, 209.
17. A. Vivoni, R. L. Birke, R. Foucault and J. R. Lombardi, J. Phys. Chem. B, 2003, 107, 5547.
18. E. J. Ayars, H. D. Hallen and C. I. Jahncke, Phys. Rev. Lett., 2000, 85, 4180.
19. G. S. Kedziora and G. C. Schatz, Spectrochim. Acta, Sect. A, 1999, 55, 625.
20. P. Bleckmann and H. D. Trippe, in Proceedings of the 11th International Conference on Raman Spectroscopy, ed. R. J. H. Clark and D. A. Long, John Wiley & Sons, Chichester, 1988, p. 181.
21. R. F. Aroca, R. E. Clavijo, M. D. Halls and H. B. Schlegel, J. Phys. Chem. A, 2000, 104, 9500.
22. B. Giese and D. McNaughton, J. Phys. Chem. B, 2002, 106, 101.
23. D.-Y. Wu, B. Ren, Y.-X. Jiang, X. Xu and Z.-Q. Tian, J. Phys. Chem. A, 2002, 106, 9042.
24. M. J. T. Jordan and K. C. Thompson, Chem. Phys. Lett., 2003, 370, 14.
25. S. A. Wasileski, M. T. M. Koper and M. J. Weaver, J. Am. Chem. Soc., 2002, 124, 2796.
26. W.-H. Yang and G. C. Schatz, J. Chem. Phys., 1992, 97, 3831.
27. S. Corni and J. Tomasi, J. Chem. Phys., 2001, 114, 3739.
28. G. Placzek, in Handbuch der Radiologie, ed. E. Marx, Jr., Akademische Verlagsgesellschaft, Berlin, Part 2, vol. 6, 1934.
29. M. W. Schmidt et al., J. Comput. Chem., 1993, 14, 1347.
30. In accordance with the Gamess manual recommendations for runs using the $EFIELD subroutine the accuracy of the integrals was enhanced (INTTYP = HONDO) and the convergence criteria tightened (ICUT = 11, ITOL = 30).
31. W. J. Stevens and W. H. Fink, Chem. Phys. Lett., 1987, 139, 15.
32. W. Chen and M. S. Gordon, J. Phys. Chem., 1996, 100, 14316.
33. D. Roy and T. E. Furtak, Chem. Phys. Lett., 1986, 124, 299.
34. D. Roy and T. E. Furtak, Phys. Rev. B, 1986, 344, 5111.
35. Y. J. Kwon, D. H. Soon, S. J. Ahn, M. S. Kim and K. Kim, J. Phys. Chem., 1994, 98, 8481.
36. A. J. Sadlej, Collect. Czech. Chem. Commun., 1988, 53, 1995.
37. A. J. Sadlej, Theor. Chim. Acta, 1992, 79, 123.
38. W. J. Stevens, H. Basch and M. Krauss, J. Chem. Phys., 1984, 81, 6026.
39. W. J. Stevens, M. Krauss, H. Basch and P. G. Jasien, Can. J. Chem., 1992, 70, 612.
40. T. R. Cundari and W. J. Stevens, J. Chem. Phys., 1993, 98, 5555.
41. M. D. Halls and H. B. Schlegel, J. Chem. Phys., 1999, 111, 8819.
42. H. D. Stidham and D. P. DiLella, J. Raman Spectrosc., 1980, 9, 247.
43. A. P. Scott and L. Radom, J. Phys. Chem., 1996, 100, 16502.
44. M. D. Halls, J. Velkovski and H. B. Schlegel, Theor. Chem. Acc., 2001, 105, 413.
45. J. T. Golab, J. R. Sprague, K. T. Carron, G. C. Schatz and R. P. Van Duyne, J. Chem. Phys., 1988, 88, 7942.