Theoretical Modeling of the Surface-Enhanced Raman Optical Activity
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F12%3A00377594" target="_blank" >RIV/61388963:_____/12:00377594 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/ct300150g" target="_blank" >http://dx.doi.org/10.1021/ct300150g</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/ct300150g" target="_blank" >10.1021/ct300150g</a>
Alternative languages
Result language
angličtina
Original language name
Theoretical Modeling of the Surface-Enhanced Raman Optical Activity
Original language description
Surface-enhanced Raman optical activity (SEROA) is a new technique combining the sensitivity of the surface-enhanced Raman scattering (SERS) with the detailed information about molecular structure provided by the chiral spectroscopies. So far, experimental SEROA spectra have been reported in several studies, but the interpretation and theoretical background are rather limited. In this work, general expressions for the electromagnetic contribution to SEROA are derived using the matrix polarization theoryand used to investigate the enhancement in model systems. The results not only reveal a strong dependence of the enhancement on the distance between the molecule and a metal part but also the dependence of the ratio of ROA and Raman intensities (circular intensity difference, CID) on the distance and rotational averaging. For a ribose model, an optimal molecule-colloid distance was predicted which provided the highest CIDs. However, the CID maximum disappeared after a rotational averagi
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Chemical Theory and Computation
ISSN
1549-9618
e-ISSN
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Volume of the periodical
8
Issue of the periodical within the volume
5
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
1714-1720
UT code for WoS article
000303628400021
EID of the result in the Scopus database
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