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Cited by 416

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

Watanabe, Hiroyuki, Hayazawa, Norihiko, Inouye, Yasushi, Kawata, Satoshi·2005·The Journal of Physical Chemistry B
DOI 10.1021/jp045771u
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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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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
DOI
10.1021/jp045771u
OpenAlex
W2017301115
Cited by
416
References
37
FWCI
7.66
Type
journal article
Language
en
Open access
closed

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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.

Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

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