NDLI: Deducing the Adsorption Geometry of Rhodamine 6G from the Surface-Induced Mode Renormalization in Surface-Enhanced Raman Spectroscopy

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Deducing the Adsorption Geometry of Rhodamine 6G from the Surface-Induced Mode Renormalization in Surface-Enhanced Raman Spectroscopy

Content Provider	Semantic Scholar
Author	Dyck, Colin Van Duyne, Richard P. Van Schatz, George C. Ratner, Mark A.
Copyright Year	2018
Abstract	Surface-enhanced Raman spectroscopy probes adsorbates on a plasmonic substrate and offers high sensitivity with molecular identification capabilities. In this study, we present a refined methodology for considering the supporting substrate in the computation of the Raman spectra. The supporting substrate is taken into account by employing a periodic slab model when doing the geometry optimization and normal mode analysis, and then the Raman spectrum is calculated for the isolated molecule but with the normal modes from the surface structure. We find that the interaction with the surface induces internal distortion in the molecule, and spectral shifts in the computed Raman spectrum. By comparing a low temperature surface-enhanced Raman spectroscopy measurement of Rhodamine 6G (R6G) with the computed Raman spectra of a series of adsorption geometries, we propose that the binding state captured in the experiment tends to possess the least internal distortion. This binding state involves upward orientation of...
Starting Page	465
Ending Page	473
Page Count	9
File Format	PDF HTM / HTML
DOI	10.1021/acs.jpcc.7b09441
Volume Number	122
Alternate Webpage(s)	https://cpb-us-e1.wpmucdn.com/sites.northwestern.edu/dist/a/1103/files/2018/01/2017_12_RatnerSchatzVanDuyne_VanDyck_JPCC_NOPAGENUMBER-1z05eja.pdf
Alternate Webpage(s)	https://cpb-us-e1.wpmucdn.com/sites.northwestern.edu/dist/a/1103/files/2018/02/2018_Ratner_Schatz_VanDuyne_VanDyck_JPCC-1zi0y9v.pdf
Alternate Webpage(s)	https://cpb-us-e1.wpmucdn.com/sites.northwestern.edu/dist/f/44/files/2018/01/acs.jpcc_.7b09441-381.-1ccxran.pdf
Alternate Webpage(s)	https://doi.org/10.1021/acs.jpcc.7b09441
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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