DFT vibrational calculations of Rhodamine 6G adsorbed on silver: Analysis of tip-enhanced Raman spectroscopy

Journal of Physical Chemistry B

Volumn 109, Issue 11, 2005, Pages 5012-5020

  Watanabe, Hiroyuki ^a,b   Hayazawa, Norihiko ^c   Inouye, Yasushi ^a,c   Kawata, Satoshi ^a,c  

^a OSAKA UNIVERSITY   (Japan)

^b FUJIFILM CORPORATION   (Japan)

^c RIKEN   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY (DFT); RHODAMINE 6G; TIP-ENHANCED RAMAN SPECTROSCOPY (TERS); VIBRATIONAL CALCULATIONS;

ADSORPTION; MOLECULAR VIBRATIONS; NANOSTRUCTURED MATERIALS; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SILVER;

DYES;

RHODAMINE; RHODAMINE 6G; SILVER;

ADSORPTION; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; METHODOLOGY; RAMAN SPECTROMETRY;

ADSORPTION; MODELS, MOLECULAR; RHODAMINES; SILVER; SPECTRUM ANALYSIS, RAMAN;

EID: 15744380793     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp045771u     Document Type: Article

References (62)

1. Tsai, D. P.; Othonos, A.; Moskovits, M.; Uttamchandani, D. Appl. Phys. Lett. 1994, 64, 1768.
2. Jahncke, C. L.; Paesler, M. A.; Hallen, R D. Appl. Phys. Lett. 1995, 67, 2483.
3. Smith, D. A.; Webster, S.; Ayad, M.; Evans, S. D.; Fogherty, D.; Batchelder, D. Ultramicroscopy 1995, 61, 247.
4. Inouye, Y.; Hayazawa, N.; Hayashi, K.; Sekkat, Z.; Kawata, S. In Proc. of SPIE, Denver, 1999, 3791, 40.
5. Hayazawa, N.; Inouye, Y.; Sekkat, Z.; Kawata, S. Opt. Commun. 2000, 183, 333.
6. Stöckle, R. M.; Suh, Y. D.; Deckert, V.; Zenobi, R. Chem. Phys. Lett. 2000, 318, 131.
7. Anderson, M. S. Appl. Phys. Lett. 2000, 76, 3130.
8. Pohl. D. W.; Denk, W.; Lanz, M. Appl. Phys. Lett. 1984, 44, 651.
9. Harootunian, A.; Betzig, E.; Isaacson, M.; Lewis, A. Appl. Phys. Lett. 1986, 49, 674.
10. Betzig, E.; Chichester, R. J. Science 1993, 262, 1422.
11. Xie, X. S.; Dunn, R. C. Science 1994, 265, 361.
12. Ambrose, W. P.; Goodwin, P. M.; Martin, J. C.; Keller, R. A. Science 1994, 265, 364.
13. Hayazawa, N.; Inouye, Y.; Sekkat, Z.; Kawata, S. Chem. Phys. Lett. 2001, 335, 369.
14. Hayazawa, N.; Inouye, Y.; Sekkat, Z.; Kawata, S. J. Chem. Phys. 2002, 117, 1296.
15. Hayazawa, N.; Yano, T.; Watanabe, H.; Inouye, Y.; Kawata, S. Chem. Phys. Lett. 2003, 376, 174.
16. Watanabe, H.; Ishida, Y.; Hayazawa, N.; Inouye, Y.; Kawata, S. Phys. Rev. B 2004, 69, 155418.
17. Fischer, U. Ch.; Pohl, D. W. Phys. Rev. Lett. 1989, 62, 458.
18. Inouye, Y.; Kawata, S. Opt. Lett. 1994, 19, 159.
19. Novotny, L.; Sanchez, E. J.; Xie, X. S. Ultramicrscopy 1998, 71, 21.
20. Furukawa, H.; Kawata, S. Opt. Commun. 1998, 148, 221.
21. Chang, R. F.; Furtak, T. E. Surface Enhancement Raman Scattering; Plenum: New York, 1982.
22. Nie, S.; Emory, S. R. Science 1997, 275, 1102.
23. Kneipp, K.; Wang, Y.; Kneipp, H.; Perelman, L. T.; Itzkan, I.; Dasari, R. R.; Feld, M. S. Phys. Rev. Lett. 1997, 78, 1667.
24. Michaels, A. M.; Nirman, M.; Brus, L. E. J. Am. Chem. Soc. 1999, 121, 9932.
25. Gunnarsson, L.; Bjerneld, E. J.; Xu, H.; Pctronis, S.; Kasemo, B.; Kill, M. Appl. Phys. Lett. 2001, 78, 802.
26. Meixner, A. J.; Vosgröne, T.; Sackrow, M. J. Lumin. 2001, 94-95, 147.
27. Weiss, A.; Haran, G. J. Phys. Chem. B 2001, 105, 12348.
28. Futamata, M.; Maruyama, Y.; Ishikawa, M. J. Phys. Chem. B 2003, 107, 7607.
29. Li, W.-H.; Li, X.-Y.; Yu, N.-T. Chem. Phys. Lett. 1999, 312, 28.
30. Hayashi, M.; Lin, S. H.; Baschke, M. B.; Shen, Y. R. J. Phys. Chem. A 2002, 106, 2271.
31. Emory. S. R.; Nie, S. Anal. Chem. 1997, 69, 2631.
32. Zeisel, D.; Deckert, V.; Zenobi, R.; Vo-Dinh, T. Chem. Phys. Lett. 1998, 283, 381.
33. Hildebrandt, P.; Stockburger, M. J. Phys. Chem. 1984, 88, 5935.
34. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
35. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
36. Bauernschmitt, R.; Ahlrichs, R. Chem. Phys. Lett. 1996, 256, 454.
37. Casida, M. E.; Jamorski, C.; Casida, K. C.; Salahub, D. R. J. Chem. Phys. 1998, 108, 4439.
38. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; 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. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
39. Mohandas, P.; Umapathy, S. J. Phys. Chan. A 1997, 101, 4449.
40. Schaftenaar, G.; Noordik, J. H. J. Comput.-Aided Mol. Des. 2000, 14, 123.
41. Yamakita, Y. LXVIEW; The University of Tokyo: Tokyo, Japan, 1995.
42. Okamoto, Y. VLX; Fuji Photo Film. Co., Ltd.: Kanagawa, Japan, 2001.
43. Adhikesavalu, D. N.; Mastropaolo, D.; Camerman, A.; Camerman, N. Acta Cryst. 2001, C57, 657.
44. Rauhut, G.; Pulay, P. J. Phys. Chem. 1995, 99, 3093.
45. Yoshida, H.; Ehara, A.; Matsuura, H. Chem. Phys. Lett. 2000, 325, 477.
46. Watanabe, H.; Okamoto, Y.; Furuya, K.; Sakamoto, A.; Tasumi, M. J. Phys. Chem. A 2002, 106, 3318.
47. Yoshida, H.; Takeda, K.; Okamura, J.; Ehara, A.; Matsuura, H. J. Phys. Chem. A 2002, 106, 3580.
48. Clarkson, J.; Smith, W. E.; Batchelder, D. N.; Smith, D. A.; Coats, A. M. J. Mol. Struct. 2003, 648, 203.
49. Albrecht, A. C. J. Chem. Phys. 1961, 34, 1476.
50. Lombardi, J. R.; Shields Knight, E. A.; Birke, R. L. Chem. Phys. Lett. 1981, 79, 214.
51. Neto, N.; Muniz-Miranda, M.; Sbrana, G. J. Phys. Chem. 1996, 100, 9911.
52. Otto, C.; van den Tweel, T. J. J.; de Mul, F. F. M.; Greve, J. J. Roman Spearosc. 1986, 17, 289.
53. Moskovits, M. Rev. Mod. Phys. 1985, 57, 783.
54. Otto, A.; Mrozek, I.; Grabhorn, H.; Akemann, W. J. J. Phys.: Condens. Matter 1992, 4, 1143.
55. Campion, A.; Kambhampati, P. Chem. Soc. Rev. 1998, 27, 241.
56. King, F. W.; Van Duyne, R. P.; Schatz, G. C. J. Chem. Phys. 1978, 69, 4472.
57. Efrima, S.; Metiu, H. J. Chem. Phys. 1979, 70, 1939.
58. Creighton, J. A. Surf. Sci. 1983, 124, 209.
59. Otto, A.; Timper, J.; Billmann, J.; Kovacs, G.; Pockrand, I. Surf. Sci. 1980, 92, L55.
60. Billrnann, J.; Kovacs, G.; Otto, A. Surf. Sci. 1980, 92, 153.
61. Otto, A.; Billmann, J.; Eickmans, J.; Ertuerk, U.; Pettenkofer, C. Surf. Sci. 1984, 138, 319.
62. Campion, A.; Ivanecky, J. E., III; Child, C. M.; Foster, M. J Am. Chem. Soc. 1995, 117, 11807.