Spectral Characteristics of Chemical Enhancement on SERS of Benzene-like Derivatives: Franck-Condon and Herzberg-Teller Contributions

Journal of Physical Chemistry C

Volumn 119, Issue 49, 2015, Pages 27609-27619

  Liu, Liqian ^a   Chen, Danping ^a   Ma, Huili ^b   Liang, Wanzhen ^a  

^a XIAMEN UNIVERSITY   (China)

^b TSINGHUA UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; MOLECULES; RAMAN SPECTROSCOPY; RESONANCE;

EXCHANGE-CORRELATION FUNCTIONALS; INTERMOLECULAR CHARGE TRANSFER; RESONANCE ENHANCEMENT; SPECTRAL CHARACTERISTICS; STRUCTURAL CONFIGURATIONS; SURFACE ENHANCED RAMAN SPECTROSCOPY; THEORETICAL INVESTIGATIONS; VIBRATIONAL STRUCTURES;

EXCITED STATES;

EID: 84949580143     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b05910     Document Type: Article

References (44)

1. Moskovits, M. Surface Roughness and the Enhanced Intensity of Raman Scattering by Molecules Adsorbed on Metals J. Chem. Phys. 1978, 69, 4159-4161 10.1063/1.437095
2. Moskovits, M. Surface-Enhanced Spectroscopy Rev. Mod. Phys. 1985, 57, 783-826 10.1103/RevModPhys.57.783
3. Stiles, P. L.; Dieringer, J. A.; Shah, N. C.; Van Duyne, R. P. Surface-Enhanced Raman Spectroscopy Annu. Rev. Anal. Chem. 2008, 1, 601-626 10.1146/annurev.anchem.1.031207.112814
4. Huang, Y. F.; Wu, D. Y.; Zhu, H. P.; Zhao, L. B.; Liu, G. K. Surface-Enhanced Raman Spectroscopic Study of P-aminothiophenol Phys. Chem. Chem. Phys. 2012, 14, 8485-8497 10.1039/c2cp40558j
5. Sun, M. T.; Xu, H. X. A Novel Application of Plasmonics: Plasmon-Driven Surface-Catalyzed Reactions Small 2012, 8, 2777-2786 10.1002/smll.201200572
6. Kneipp, K.; Kneipp, H.; Itzkan, I.; Dasari, R. R.; Feld, M. S. Ultrasensitive Chemical Analysis by Raman Spectroscopy Chem. Rev. 1999, 99, 2957-2976 10.1021/cr980133r
7. Xu, H. X.; Bjerneld, E. J.; Kall, M.; Borjesson, L. Spectroscopy of Single Hemoglobin Molecules by Surface Enhanced Raman Scattering Phys. Rev. Lett. 1999, 83, 4357-4360 10.1103/PhysRevLett.83.4357
8. Metiu, H.; Das, P. The Electromagnetic Theory of Surface Enhanced Spectroscopy Annu. Rev. Phys. Chem. 1984, 35, 507-536 10.1146/annurev.pc.35.100184.002451
9. Dong, B.; Liu, L. W.; Xu, H. X.; Sun, M. T. Experimental and Theoretical Evidence for the Chemical Mechanism in SERRS of Rhodamine 6G Adsorbed on Colloidal Silver Excited at 1064 nm J. Raman Spectrosc. 2010, 41, 719-720 10.1002/jrs.2605
10. n(n = 2, 8, 20) Clusters J. Phys. Chem. C 2007, 111, 4756-4764 10.1021/jp067634y
11. Arenas, J. F.; Fernandez, D. J.; Soto, J.; Lopez Tocon, I.; Otero, J. C. Role of the Electrode Potential in the Charge-Transfer Mechanism of Surface-Enhanced Raman Scattering J. Phys. Chem. B 2003, 107, 13143-13149 10.1021/jp036028p
12. Andreas, O. The 'Chemical' (Electronic) Contribution to Surface-Enhanced Raman Scattering J. Raman Spectrosc. 2005, 36, 497-509 10.1002/jrs.1355
13. Huang, Y. F.; Zhu, H. P.; Liu, G.-K.; Wu, D. Y.; Ren, B.; Tian, Z. Q. When The Signal is not from the Original Molecule to be Detected: Chemical Transformation of Para-Aminothiophenol on Ag during the SERS Measurement J. Am. Chem. Soc. 2010, 132, 9244-9246 10.1021/ja101107z
14. Arenas, J. F.; Lopez Tocon, I.; Castro, J. L.; Centeno, S. P.; Lopez-Ramirez, M. R.; Otero, J. C. Resonant Charge Transfer on the Nanoscale: Studying Doublet States of Adsorbates by Surface-Enhanced Raman Scattering J. Raman Spectrosc. 2005, 36, 515-521 10.1002/jrs.1331
15. Arenas, J. F.; Soto, J.; Pelaez, D.; Fernandez, D. J.; Otero, J. C. Understanding Complex Surface-Enhanced Raman Scattering, Using Quantum Chemical Calculations Int. J. Quantum Chem. 2005, 104, 681-694 10.1002/qua.20522
16. Arenas, J. F.; Soto, J.; Lopez Tocon, I.; Fernandez, D. J.; Otero, J. C.; Marcos, J. I. The Role of Charge-Transfer States of the Metal-Adsorbate Complex in Surface-Enhanced Raman Scattering J. Chem. Phys. 2002, 116, 7207-7216 10.1063/1.1450542
17. 20 Cluster: A Model System for Studying Surface-Enhanced Raman Scattering J. Am. Chem. Soc. 2006, 128, 2911-2919 10.1021/ja0556326
18. 10-pyridine complex J. Chem. Phys. 2010, 132, 214707 10.1063/1.3431210
19. Zhang, X.; Wang, P.; Sheng, S. X.; Zhang, L.; Fang, Y. Direct Visual Evidence for Chemical Mechanism of SERRS of the S-complex of Pyrimidine Molecule Adsorbed on Silver Nanoparticle via Charge Transfer Spectrochim. Acta, Part A 2014, 121, 430-435 10.1016/j.saa.2013.11.003
20. Kerker, M.; Wang, D. S.; Chew, H. Surface Enhanced Raman Scattering (SERS) by Molecules Adsorbed at Spherical Particles: Errata Appl. Opt. 1980, 19, 4159-4174 10.1364/AO.19.004159
21. Lombardi, J. R.; Birke, R. L. A Unified Approach to Surface-Enhanced Raman Spectroscopy J. Phys. Chem. C 2008, 112, 5605-5617 10.1021/jp800167v
22. Birke, R. L.; Lombardi, J. R. In Advances in Laser Spectroscopy; Garetz, B.; Lombardi, J. R., Eds.; Heyden: Philadelphia, 1982; p 143.
23. Birke, R. L.; Lombardi, J. R. In Spectroelectro Chemistry, Theory and Practice; Gale, R. J., Eds.; Plenum: New York, 1988; p 263.
24. Persson, B. N. J. On the Theory of Surface-Enhanced Raman Scattering Chem. Phys. Lett. 1981, 82, 561-565 10.1016/0009-2614(81)85441-3
25. Zhao, Y.; Liang, W. Z. Theoretical Investigation of Resonance Raman Scattering of Dye Molecules Absorbed on Semiconductor Surfaces J. Chem. Phys. 2011, 135, 044108 10.1063/1.3615057
26. Ye, C. X.; Zhao, Y.; Liang, W. Z. Resonance Raman Spectra of Organic Molecules Absorbed on Inorganic Semiconducting Surfaces: Contribution from Both Localized Intramolecular Excitation and Intermolecular Charge Transfer Excitation J. Chem. Phys. 2015, 143, 154105 10.1063/1.4933374
27. Arenas, J. F.; Lopez Tocon, I.; Centeno, S. P.; Soto, J.; Otero, J. C. How a Resonant Charge Transfer Mechanism Determines the Relative Intensities in the SERS Spectra of 4-Methylpyridine Vib. Spectrosc. 2002, 29, 147-154 10.1016/S0924-2031(01)00203-X
28. Soto, J.; Fernandez, D. J.; Centeno, S. P.; Lopez Tocon, I.; Otero, J. C. Surface Orientation of Pyrazine Adsorbed on Silver from the Surface-Enhanced Raman Scattering Recorded at Different Electrode Potentials Langmuir 2002, 18, 3100-3104 10.1021/la010489p
29. Arenas, J. F.; Woolley, M. S.; Lopez Tocon, I.; Otero, J. C.; Marcos, J. I. Complete Analysis of the Surface-Enhanced Raman Scattering of Pyrazine on the Silver Electrode on the Basis of a Resonant Charge Transfer Mechanism Involving Three States J. Chem. Phys. 2000, 112, 7669-7683 10.1063/1.481361
30. Ma, H. L.; Liu, J.; Liang, W. Z. Time-Dependent Approach to Resonance Raman Spectra including Duschinsky Rotation and Herzberg-Teller Effects: Formalism and its Realistic Applications J. Chem. Theory Comput. 2012, 8, 4474-4482 10.1021/ct300640c
31. Liang, W. Z.; Ma, H. L.; Zang, H.; Ye, C. X. Generalized Time-Dependent Approaches to Vibrationally Resolved Electronic and Raman Spectra: Theory and Applications Int. J. Quantum Chem. 2015, 115, 550-563 10.1002/qua.24824
32. Centeno, S. P.; Lopez Tocon, I.; Perez, J. R.; Arenas, J. F.; Soto, J. Franck-Condon Dominates the Surface-Enhanced Raman Scattering of 3-Methylpyridine: Propensity Rules of the Charge-Transfer Mechanism under Reduced Symmetry J. Phys. Chem. C 2012, 116, 23639-23645 10.1021/jp307015a
33. Ma, H. L.; Zhao, Y.; Liang, W. Z. Assessment of Mode-Mixing and Herzberg-Teller Effects on Two-Photon Absorption and Resonance Hyper-Raman Spectra from a Time-Dependent Approach J. Chem. Phys. 2014, 140, 094107 10.1063/1.4867273
34. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; et al., GAUSSIAN09, revision B.01; Gaussian, Inc.: Wallingford, CT, 2009.
35. Silverstein, D. W.; Jensen, L. Vibronic Coupling Simulations for Linear and Nonlinear Optical Processes: Theory J. Chem. Phys. 2012, 136, 064111 10.1063/1.3684236
36. Cerezo, J.; Avila Ferrer, F. J.; Disentangling, F. Vibronic and Solvent Broadening Effects in the Absorption Spectra of Coumarin Derivatives for Dye Sensitized Solar Cells Phys. Chem. Chem. Phys. 2015, 17, 11401-11411 10.1039/C5CP00370A
37. Centeno, S. P.; Lopez Tocon, I.; Arenas, J. F.; Soto, J.; Otero, J. C. Selection Rules of the Charge Transfer Mechanism of Surface-Enhanced Raman Scattering: The Effect of the Adsorption on the Relative Intensities of Pyrimidine Bonded to Silver Nanoclusters J. Phys. Chem. B 2006, 110, 14916-14922 10.1021/jp0621373
38. Golab, J. T.; Sprague, J. R.; Carron, K. T.; Schatz, G. C.; Van Duyne, R. P. A Surface Enhanced Hype-Raman Scattering Study of Pyridine Adsorbed onto Silver: Experiment and Theory J. Chem. Phys. 1988, 88, 7942-7951 10.1063/1.454251
39. 8 Region of Isotopic Pyridines J. Raman Spectrosc. 1979, 8, 180 10.1002/jrs.1250080314
40. Jensen, L.; Zhao, L.; Autschbach, J.; Schatz, G. C. Theory and Method for Calculating Resonance Raman Scattering from Resonance Polarizability Derivatives J. Chem. Phys. 2005, 123, 174110 10.1063/1.2046670
41. Baldwin, J.; Schuhler, N.; Butler, I. S.; Andrews, M. P. Integrated Optics Evanescent Wave Surface Enhanced Raman Scattering (IO-EWSERS) of Mercaptopyridines on a Planar Optical Chemical Bench: Binding of Hydrogen and Copper Ion Langmuir 1996, 12, 6389-6398 10.1021/la960367a
42. Jung, H. S.; Kim, K.; Kim, M. S. Raman Spectroscopic Investigation of the Adsorption of 4-Mercaptopyridine on a Silver-sol Surface J. Mol. Struct. 1997, 407, 139-147 10.1016/S0022-2860(97)00006-9
43. Hu, J.; Zhao, B.; Xu, W.; Li, B.; Fan, Y. Surface-Enhanced Raman Spectroscopy Study on the Structure Changes of 4-Mercaptopyridine Adsorbed on Silver Substrates and Silver Colloids Spectrochim. Acta, Part A 2002, 58, 2827-2834 10.1016/S1386-1425(02)00074-4
44. Baldwin, J.; Schuhler, N.; Butler, I. S.; Andrews, M. P. Surface-Enhanced Raman Scattering of Mercaptopyridines and Pyrazinamide Incorporated in Silver Colloid-Adsorbate Films Langmuir 1997, 13, 3744-3751 10.1021/la960719d