Reproduction of Chiral Anisotropy in Surface-Enhanced Raman Scattering on Gold Nanowires by Computational Modeling

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F24%3A00587969" target="_blank" >RIV/61388963:_____/24:00587969 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1021/acs.jpcc.4c02703" target="_blank" >https://doi.org/10.1021/acs.jpcc.4c02703</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcc.4c02703" target="_blank" >10.1021/acs.jpcc.4c02703</a>

Result language
angličtina
Original language name
Reproduction of Chiral Anisotropy in Surface-Enhanced Raman Scattering on Gold Nanowires by Computational Modeling
Original language description
Chiral gold nanostructured films were found to exhibit extremely strong surface-enhanced Raman scattering chiral anisotropy, but the physical origin of this phenomenon remained a mystery. In the present study, a robust model is presented, revealing properties of the gold wires important for the interaction with the analytes and discrimination of molecular enantiomers. Molecular dynamics and quantum chemical computations are utilized, the enhanced electromagnetic field of gold clusters is treated without a multipole approximation. The simulations show that the gold self-polarization produces a static electric field reflecting the chiral symmetry of the nanowires, it significantly enhances the geometrical preference for the enantiomers and affects how the analyte is distributed along the nanostructure surface. The electro-mechanical sensitivity is further amplified by the strongly nonlinear Raman response to the laser excitation in resonance. The current computational approach is limited by the size of the system, but it is amendable to improvement and the rationalization increases the potential of SERS-ChA as a powerful analytical method for chirality detection in chemistry, biology, and the environment.
Czech name
—
Czech description
—

Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10403 - Physical chemistry

Project
<a href="/en/project/GA22-04669S" target="_blank" >GA22-04669S: Sensitivity Enhancement of Vibrational Optical Activity Spectroscopy for Biomolecules</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Similar results(10)