VIBRATIONAL MODES STUDY OF METHYL ORANGE USING SERS-MEASUREMENT AND THE DFT METHOD
| Autor: | Pengwei Li, Ge Song, Tingchao He, Yu-Ting Cui, Ting-Jian Jia, Yujun Mo |
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| Rok vydání: | 2008 |
| Předmět: |
Materials science
Infrared spectroscopy Statistical and Nonlinear Physics Condensed Matter Physics Computer Science::Digital Libraries Silver nanoparticle chemistry.chemical_compound symbols.namesake Nuclear magnetic resonance Adsorption chemistry Molecular vibration Physics::Atomic and Molecular Clusters Methyl orange symbols Physical chemistry Density functional theory Physics::Chemical Physics Raman spectroscopy Basis set |
| Zdroj: | Modern Physics Letters B. 22:2869-2879 |
| ISSN: | 1793-6640 0217-9849 |
| Popis: | This paper experimentally observes the Normal Raman spectrum (NRS) and infrared absorption spectrum of methyl orange (MO) and presents theoretical vibrational spectra calculated from a density functional theory (DFT) method on the basis of B3LYP with 6–31 basis set. The calculated results show very good agreement with the experimentally observed IR and Raman frequencies. We also report the surface enhanced Raman spectrum (SERS) of MO adsorbed on silver nanoparticles surface. Finally, the possible adsorbed state of MO on the silver nanoparticles surface is discussed. |
| Databáze: | OpenAIRE |
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