journal article·2007-06-22

Piperidine adsorption on two different silver electrodes: A combined surface enhanced Raman spectroscopy and density functional theory study

Yanling Hao, Yan Fang

Publisher page

Abstract

The surface enhanced Raman scattering (SERS) spectra of piperidine in silver colloid solution, on roughened silver electrode and on roughened silver electrode modified with silver nanoparticles were studied, and the high-quality SERS spectra of piperidine on roughened silver electrode modified with silver nanoparticles were obtained for the first time. Surface selection rules derived from the EM enhancement model were employed to deduce piperidine orientations on the different surfaces. On the basis of this, two models of piperidine adsorbed on the surface of the silver nanoparticles were built, and DFT-B3PW91/LanL2dz was applied to calculate the Raman frequencies. It proves that, at higher potential values, the piperidine is perpendicularly standing on the roughened silver electrode surface though its lone-electron pair, but in silver colloid solution and on the silver nanoparticles modified silver electrode the piperidine molecular lies flat on the silver surface. In the meantime, the potential dependent SERS of piperidine on the modified electrode were studied.
Source: openaire · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: Gold and Silver Nanoparticles Synthesis and Applications · Advanced biosensing and bioanalysis techniques · Electrochemical Analysis and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (34)

Show source-provided references
1. Albrecht M.G., Creighton J.A. (1977). Anomalously intense Raman spectra of pyridine at a silver electrode. J. Am. Chem. Soc. 99:5215–521710.1021/ja00457a071 ↗
2. Cai W.B., Ren B., Li X.Q., She C.X., Liu F.M., Cai X.W., Tian Z.Q. (1998). Investigation of surface-enhanced Raman scattering from platinum electrodes using a confocal Raman microscope: Dependence of surface roughening pretreatment. Surf. Sci. 406:9–2210.1016/S0039-6028(97)01030-3 ↗
3. Fleischmann M., Hendra P.J., Mcquillan A.J. (1974). Raman spectra of piperidine adsorbed at a silver electrode. Chem. Phys. Lett. 26:163–16610.1016/0009-2614(74)85388-1 ↗
4. Frisch M.J., G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, & J.A. Pople, 2003. Gaussian 03[M], Revision B.05, Gaussian Inc., Pittsburgh, PA
5. Guzonas David A., Donald E. Irish, George F. Atkinson. (1990). Evidence for a photon-driven charge-transfer enhancement in the surface-enhanced Raman scattering of 1,4-diazabicyclo[2.2.2] octane at a silver electrode. Langmuir 6:1102–111210.1021/la00096a014 ↗
6. Hohenberg P., Kohn W. (1964). Inhomogeneous Electron Gas. Phys. Rev. B 136:864–87010.1103/PhysRev.136.B864 ↗
7. José M., Orza M., García V., Alkorta I., Elguero J. (2000). Vibrational spectra of 3,5-dimethylpyrazde and deuterated derivatives. Spectrochim. Acta Part A 56:1469–149810.1016/S1386-1425(99)00268-1 ↗
8. Kohn W., Sham L.J. (1965). Self-consistent equations including exchange and correlation effects. Phys. Rev. A 140:1133–113810.1103/PhysRev.140.A1133 ↗
9. Koczon P., Dobrowolski J.Cz., Lewandowski W., Mazurek A.P. (2003). Experimental and theoretical IR and Raman spectra of picolinic, nicotinic and isonicotinic acids. J. Mol. Struct. 655:89–9510.1016/S0022-2860(03)00247-3 ↗
10. Kudelski A., Bukowska J. (1996). The chemical effect in surface enhanced Raman scattering (SERS) for piperidine adsorbed on a silver electrode. Surf. Sci. 368:396–40010.1016/S0039-6028(96)01082-5 ↗
11. Kudelski A., Janik-Czachor M., Pisarek M., Bukowska J., Mack P., Dolata M., Szummer A. (2002). Local characterization of inhomogeneous Cu surfaces by surface-enhanced Raman scattering. Surf. Sci. 507:441–44610.1016/S0039-6028(02)01283-9 ↗
12. Leconte J., Markovits A., Skalli M.K., Minot C., Belmajdoub A. (2002). Periodic ab initio study of the hydrogenated rutile TiO2(110) surface. Surf. Sci. 497:194–20410.1016/S0039-6028(01)01477-7 ↗
13. Lee P.C., Meisel D. (1982). Adsorption and surface-enhanced Raman of dyes on silver and gold sols. J. Phys. Chem. 86:3391–339510.1021/j100214a025 ↗
14. Lin H.J., Chou Y.C. (1986). Voltage-dependent excitation profiles of pyridine adsorbed on a silver electrode. Chem. Phys. Lett. 125:53–5610.1016/0009-2614(86)85154-5 ↗
15. Luis A. Sanchez, Ronald L. Birke, John R. Lombardi (1984). Surface-enhanced Raman scattering of piperidine. The effect of electrode potential on intensity. J. Phys. Chem. 88:1762–176610.1021/j150653a020 ↗
16. Maiti A., A. Svizhenko & M.P. Anantram, 2002. Electronic transport through carbon nanotubes: Effects of structural deformation and tube chirality. Phys. Rev. Lett. 88: 126805-1-126805-410.1103/PhysRevLett.88.126805 ↗
17. Markovits A., Garcia-Hernandez M., Ricart J.M., Illas F. (1999). Theoretical study of bonding of carbon trioxide and carbonate on Pt(111): Relevance to the interpretation of “in situ” vibrational spectroscopy. J. Phys. Chem. B 103:509–51810.1021/jp984016b ↗
18. Moskovits M. (1985). Surface-enhanced spectroscopy. Rev. Modern Phy. 57:783–82610.1103/RevModPhys.57.783 ↗
19. Moskovits M. (1982). Surface selection rules. J. Chem. Phys. 77:4408–441610.1063/1.444442 ↗
20. Moskovits M., Suh J.S. (1988). Surface geometry change in 2-naphthoic acid adsorbed on silver. J. Phys. Chem. 92:6327–632910.1021/j100333a030 ↗
21. Qi J.W., Wu G.Z. (1989). Temperture dependent surface enhanced Raman spectroscopy of piperidine in AgBr sol. Spectrochim. Acta Part A 45:711–71410.1016/0584-8539(89)80256-9 ↗
22. Rau J.V., Cesaro S.N., Boltalina O.V., Agafonov V., Popov A.A., Sidorov L.N. (2004). Raman and infrared spectroscopic study of C60F18, C60F36 and C60F48. Vib. Spectrosc. 34:137–14710.1016/j.vibspec.2003.05.003 ↗
23. Rubim Joel C., Paola Corio, Mauro C., Ribeiro C., Michael Matz (1995). Contribution of resonance Raman scattering to the surface-enhanced Raman effect on electrode surfaces. A desorption using time dependent formalism. J. Phys. Chem. 99:15765–1577410.1021/j100043a013 ↗
24. Stephens P.J., Delvin F.J., Chablowski C.F., Frisch M.J. (1994). Ab initio calculation of vibrational absorption and circular dichroism using density functional force fields. J. Phys. Chem. 98:11623–1162710.1021/j100096a001 ↗
25. Stern D.A., Laguren-Davidson L., Frank K.G., Gui J.Y., Lin C-H., Lu F., Salaita G.N., Walton N., Zapien D.C., Hubbard A.T. (1989). Potential-dependent surface chemistry of 3-pyridinecarboxylic acid (Niacin) and related compounds at Pt(111) electrodes. J. Am. Chem. Soc. 111:877–89110.1021/ja00185a015 ↗
26. Tian B.G., Wu G.Z., Liu G.H (1987). The molecular polarizability derivatives and their implications as interpreted from the surface enhanced Raman intensities: A case study of piperidine. J. Chem. Phys. 87:7300–730610.1063/1.453323 ↗
27. Tian Z.Q., Ren B., Wu D.Y. (2002). Surface-enhanced Raman scattering: From noble to transition metals and from rough surfaces to ordered nanostructures. J. Phy. Chem. B 106:9463–948310.1021/jp0257449 ↗
28. Tielens F., Saeys M., Tourwe E., Marin G.B., Hubin A., Geerlings P. (2002). An ab initio study of the interaction of SCN− with a silver electrode: The prediction of vibrational frequencies. J. Phys. Chem. A 106:1450–145710.1021/jp013992j ↗
29. Wang J.G., Liu C.-J., Fang Z., Liu Y., Han Z. (2004). DFT study of structural and electronic properties of PdO/HZSM-5. J. Phys. Chem. B 108:1653–165910.1021/jp035779o ↗
30. Wang K., Li Y.-S. (1997). Silver doping of polycarbonate films for surface-enhanced Raman scattering. Vib. Spectrosc. 14:183–18810.1016/S0924-2031(97)00005-2 ↗
31. Weiβenbacher N., Gobel R., Kellner R. (1996). Ag-layer on non-ferrous metals and alloys. A new substrate for surface enhanced Raman scattering (SERS). Vib. Spectrosc. 12:189–19510.1016/0924-2031(96)00024-0 ↗
32. Wu D., Fang Y. (2004). Surface-enhanced Raman scattering of a series of n-hydroxybenzoic acids (n= P, M and O) on the silver nano-particles. Spec. Acta. Part A 60:1845–185210.1016/j.saa.2003.10.001 ↗
33. Wu H.J., Fang Y., Zhang P.X. (2005). Fourier transform Raman and density functional theory studies on the adsorption behavior of p-hydroxybenzoic acid on silver nanoparticles. J. Phys. Chem. B 109:21865–2186710.1021/jp0443207 ↗
34. Zawada K., Bukowska J. (2002). Surface-enhanced Raman spectroscopy studies of phenylphridines interacting with a copper electrode surface. Surf. Sci. 507:34–3910.1016/S0039-6028(02)01171-8 ↗