Density functional theory study on Herzberg-Teller contribution in Raman scattering from 4-aminothiophenol-metal complex and metal-4-aminothiophenol- metal junction

Journal of Chemical Physics

Volumn 130, Issue 23, 2009, Pages

  Liu, Shasha ^a   Zhao, Xiuming ^a   Li, Yuanzuo ^a   Zhao, Xiaohong ^a   Chen, Maodu ^a  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

1064 NM; 4-AMINOTHIOPHENOL; CHARGE DIFFERENCE; ELECTRONIC TRANSITION; ELECTRONIC TRANSITION ENERGIES; ENHANCEMENT MECHANISM; INCIDENT LIGHT; METAL JUNCTIONS; METAL-MOLECULE COMPLEXES; METAL-MOLECULE-METAL JUNCTIONS; NEW STRUCTURES; NORMAL RAMAN SCATTERING; RAMAN INTENSITIES; RAMAN SCATTERING SPECTRA; RESONANCE ENHANCEMENT; RRS SPECTRA; SIMULATED PROFILE; STATIC POLARIZABILITIES; TIME-DEPENDENT DFT;

CHARGE TRANSFER; ELECTRON ENERGY LOSS SPECTROSCOPY; ION EXCHANGE; METAL COMPLEXES; METALS; MOLECULES; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; SCATTERING; SILVER; SULFUR COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

4 AMINOTHIOPHENOL; 4-AMINOTHIOPHENOL; ANILINE DERIVATIVE; GOLD; ORGANOMETALLIC COMPOUND; SILVER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; METHODOLOGY; RAMAN SPECTROMETRY;

ANILINE COMPOUNDS; COMPUTER SIMULATION; GOLD; MODELS, CHEMICAL; ORGANOMETALLIC COMPOUNDS; SILVER; SPECTRUM ANALYSIS, RAMAN;

EID: 67649099390     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3146815     Document Type: Article

References (48)

1. M. G. Albrecht and J. A. Creighton, J. Am. Chem. Soc. 0002-7863 99, 5215 (1977). 10.1021/ja00457a071
2. D. L. Jeanmaire and R. P. V. Duyne, J. Electroanal. Chem. 0022-0728 84, 1 (1977). 10.1016/S0022-0728(77)80224-6
3. M. Moskovits, Rev. Mod. Phys. 0034-6861 57, 783 (1985). 10.1103/RevModPhys.57.783
4. A. Campion, J. E. Ivanecky, C. M. Child, and M. Foster, J. Am. Chem. Soc. 0002-7863 117, 11807 (1995). 10.1021/ja00152a024
5. K. Kneipp, H. Kneipp, I. Itzkan, R. R. Dasari, and M. S. Feld, Chem. Rev. (Washington, D. C.) 99, 2957 (1999). 10.1021/cr980133r 0009-2665
6. J. F. Arenas, I. L. Tocon, J. C. Otero, and J. I. Marcos, J. Phys. Chem. 0022-3654 100, 9254 (1996). 10.1021/jp953712y
7. A. Campion and P. Kambhampati, Chem. Soc. Rev. 0306-0012 27, 241 (1998). 10.1039/a827241z
8. L. Jensen, C. M. Aikens, and G. C. Schatz, Chem. Soc. Rev. 0306-0012 37, 1061 (2008). 10.1039/b706023h
9. A. Otto and M. Futamata, in Surface-Enhanced Raman Scattering: Physics and Applications (Springer, New York, 2006), Vol. 103, p. 147.
10. J. R. Lombardi and R. L. Birke, J. Phys. Chem. C 1932-7447 112, 5605 (2008). 10.1021/jp800167v
11. S. M. Morton and L. Jensen, J. Am. Chem. Soc. 0002-7863 131, 4090 (2009). 10.1021/ja809143c
12. M. Futamata, F. Maruyama, and M. Ishikawa, J. Phys. Chem. B 1089-5647 108, 13119 (2004). 10.1021/jp049966d
13. L. Y. Cao, P. Diao, L. M. Tong, T. Zhu, and Z. F. Liu, ChemPhysChem 1439-4235 6, 913 (2005). 10.1002/cphc.200400254
14. Y. L. Wang, H. J. Chen, S. J. Dong, and E. K. Wang, J. Chem. Phys. 0021-9606 124, (2006).
15. Y. Borodko, S. M. Humphrey, T. D. Tilley, H. Frei, and G. A. Somorjai, J. Phys. Chem. C 1932-7447 111, 6288 (2007). 10.1021/jp068742n
16. M. Osawa, N. Matsuda, K. Yoshii, and I. Uchida, J. Phys. Chem. 0022-3654 98, 12702 (1994). 10.1021/j100099a038
17. Q. Zhou, G. Zhao, Y. Chao, Y. Li, Y. Wu, and J. Zheng, J. Phys. Chem. C 1932-7447 111, 1951 (2007). 10.1021/jp067045s
18. L. Peyser-Capadona, J. Zheng, J. I. Gonzalez, T. -H. Lee, S. A. Patel, and R. M. Dickson, Phys. Rev. Lett. 0031-9007 94, 058301 (2005). 10.1103/PhysRevLett.94.058301
19. Q. Zhou, X. W. Li, Q. Fan, X. X. Zhang, and J. W. Zheng, Angew. Chem., Int. Ed. 1433-7851 45, 3970 (2006). 10.1002/anie.200504419
20. X. G. Hu, T. Wang, L. Wang, and S. J. Dong, J. Phys. Chem. C 1932-7447 111, 6962 (2007). 10.1021/jp0712194
21. L. L. Zhao, L. Jensen, and G. C. Schatz, Nano Lett. 1530-6984 6, 1229 (2006). 10.1021/nl0607378
22. L. Jensen, L. L. Zhao, and G. C. Schatz, J. Phys. Chem. C 1932-7447 111, 4756 (2007). 10.1021/jp067634y
23. D. Y. Wu, X. M. Liu, S. Duan, X. Xu, B. Ren, S. H. Lin, and Z. Q. Tian, J. Phys. Chem. C 1932-7447 112, 4195 (2008). 10.1021/jp0760962
24. M. Muniz-Miranda, G. Cardini, M. Pagliai, and V. Schettino, Chem. Phys. Lett. 0009-2614 436, 179 (2007). 10.1016/j.cplett.2007.01.020
25. S. S. Liu, S. B. Wan, M. D. Chen, and M. T. Sun, J. Raman Spectrosc. 0377-0486 39, 1170 (2008). 10.1002/jrs.1958
26. M. Sun and H. Xu, ChemPhysChem 1439-4235 10, 8 (2009).
27. A. C. Albrecht, J. Chem. Phys. 0021-9606 34, 1476 (1961). 10.1063/1.1701032
28. L. Zhao, L. Jensen, and G. C. Schatz, J. Am. Chem. Soc. 0002-7863 128, 2911 (2006). 10.1021/ja0556326
29. K. Kim and H. S. Lee, J. Phys. Chem. B 1089-5647 109, 18929 (2005). 10.1021/jp052665z
30. K. Kim and J. K. Yoon, J. Phys. Chem. B 1089-5647 109, 20731 (2005). 10.1021/jp052829b
31. J. Zheng, X. Li, R. Gu, and T. Lu, J. Phys. Chem. B 1089-5647 106, 1019 (2002). 10.1021/jp012083r
32. J. Zheng, Y. Zhou, X. Li, Y. Ji, T. Lu, and R. Gu, Langmuir 0743-7463 19, 632 (2003). 10.1021/la011706p
33. W. J. D. Beenken and T. Pullerits, J. Chem. Phys. 0021-9606 120, 2490 (2004). 10.1063/1.1636460
34. K. G. Jespersen, W. J. D. Beenken, Y. Zaushitsyn, A. Yartsev, M. Andersson, T. Pullerits, and V. Sundstrom, J. Chem. Phys. 0021-9606 121, 12613 (2004). 10.1063/1.1817873
35. N. -K. Persson, M. Sun, P. Kjellberg, T. Pullerits, and O. Inganas, J. Chem. Phys. 0021-9606 123, 204718 (2005). 10.1063/1.2087367
36. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03W, Revision E.01, Gaussian, Inc., Pittsburgh, PA, 2003.
37. P. Hohenberg and W. Kohn, Phys. Rev. 0096-8250 136, B864 (1964). 10.1103/PhysRev.136.B864
38. J. P. Perdew, Phys. Rev. B 0163-1829 33, 8822 (1986). 10.1103/PhysRevB.33.8822
39. A. D. Becke, Phys. Rev. A 1050-2947 38, 3098 (1988). 10.1103/PhysRevA.38. 3098
40. P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 82, 270 (1985). 10.1063/1.448799
41. J. Neugebauer, M. Reiher, C. Kind, and B. A. Hess, J. Comput. Chem. 0192-8651 23, 895 (2002). 10.1002/jcc.10089
42. E. K. U. Gross and W. Kohn, Phys. Rev. Lett. 0031-9007 55, 2850 (1985). 10.1103/PhysRevLett.55.2850
43. W. J. D. Beenken and T. Pullerits, J. Phys. Chem. B 1089-5647 108, 6164 (2004). 10.1021/jp037332l
44. M. T. Sun, P. Kjellberg, W. J. D. Beenken, and T. Pullerits, Chem. Phys. 0301-0104 327, 474 (2006). 10.1016/j.chemphys.2006.05.031
45. J. Zhao, L. Jensen, J. Sung, S. Zou, G. C. Schatz, and R. P. Van Duyne, J. Am. Chem. Soc. 0002-7863 129, 7647 (2007). 10.1021/ja0707106
46. E. B. Wilson, Jr., Phys. Rev 45, 427 (1934). 0301-0104
47. J. R. Lombardi, R. L. Birke, T. Lu, and J. Xu, J. Chem. Phys. 0021-9606 84, 4174 (1986). 10.1063/1.450037
48. J. Billmann and A. Otto, Solid State Commun. 0038-1098 44, 105 (1982). 10.1016/0038-1098(82)90410-0