The DOI matches its Crossref record; 37 of the 37 references it cites were found in a registry or an index.
DFT Vibrational Calculations of Rhodamine 6G Adsorbed on Silver: Analysis of Tip-Enhanced Raman Spectroscopy
Abstract
The tip-enhanced near-field Raman (TERS) bands of Rhodamine 6G (R6G), that we reported earlier [Chem. Phys. Lett. 2001, 335, 369.], are assigned on the basis of density-functional theory (DFT) calculations at the 6-311++G(d,p) level. The Raman and infrared intensities as well as frequencies of the vibrational modes are used for band assignments. These vibrational modes, in combination with characterization of resonant electronic transitions using time-dependent DFT calculations, predict spectral changes in resonant Raman and surface-enhanced resonant Raman scatterings of R6G. Moreover, the TERS spectra of R6G are analyzed in detail, where interactions between the tip and R6G molecules and their enhancement mechanisms are discussed. Finally, we propose a novel Raman spectroscopy technique capable of detecting molecular vibrations at sub-nanometer scale.
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Cites
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Single Molecule Detection Using Surface-Enhanced Raman Scattering (SERS)
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Surface-enhanced Raman scattering
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Cited by
Controlled Plasmonic Nanostructures for Surface-Enhanced Spectroscopy and Sensing
Camden, J. P., Dieringer, J. A., Zhao, J., & Van Duyne, R. P. (2008) · Accounts of Chemical Research · doi:10.1021/ar800041s · Cited by 730
Molecular cavity optomechanics as a theory of plasmon-enhanced Raman scattering
Roelli, P., Galland, C., Piro, N., & Kippenberg, T. J. (2016) · Nature Nanotechnology · doi:10.1038/nnano.2015.264 · Cited by 276
Metadata
- Authors
- Watanabe, H., Hayazawa, N., Inouye, Y., & Kawata, S.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2005-02-26
- Volume
- 109
- Issue
- 11
- Pages
- 5012-5020
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W2017301115
- Cited by
- 416
- References
- 37
- FWCI
- 7.66
- Type
- journal article
- Language
- en
- Open access
- closed
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- Watanabe, H., Hayazawa, N., Inouye, Y., & Kawata, S. (2005). DFT Vibrational Calculations of Rhodamine 6G Adsorbed on Silver: Analysis of Tip-Enhanced Raman Spectroscopy. The Journal of Physical Chemistry B. https://doi.org/10.1021/jp045771u
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