The report describes the synthesis of core-shell noble metal anisotropic nanoparticles modified with cyanine-class fluorophores and stilbene-based Raman reporters. In perspective, it may be used for optical diagnostics and therapeutic hyperthermia.
In this paper, the DFT calculations for three stilbene derivatives, of 4-aminostilbene, 4,4'-diaminostilbene and 4-amino- 4'-(N,N-diethylamino)stilbene, are proposed enabling to assign the SERS spectra reliably, including in the «hot spots» conditions. The choice of the best model is made based on more than 50 calculations of molecule*Agn clusters. We studied, how the cluster size (4, 6 and 14 silver atoms), charge (positive localized, non-localized and neutral) and solvent accounting affect on the results of calculation. The obtained theoretical data is compared with the SERS experimental results and with the similar systems from literature. The best correspondence is obtained for the systems with Ag14 complexes (both, in the «bridge way» and «single-end» absorption). Accounting for the solvent brings the calculated data substantially closer to the experimental as well. Charge localization affects on the calculated results for asymmetric complexes only at a given level of theory.
In this work, we investigated the optical properties and surface chemistry of gold nanoparticles modified by 4,4'- dimercaptostilbene. Dimercaptostilbene was chosen as the molecule which is able to impart the new functional properties to the metasurface constructed based on assembled plasmonic nanoparticles. The influence of dimercaptostilbene concentration on the nanoparticles aggregation was investigated by X-ray photoelectron spectroscopy, UV-vis spectroscopy, transmission electron microscopy and surface enhanced Raman scattering. The interaction of dimercaptostilbene with the gold surface through a sulfur atom as well as the presence of free mercapto groups on the surface were revealed based on obtained experimental data. The effects of pH and halide anions on the Raman response of modified nanoparticles were also checked out showed their good stability in strong acidic medium as well as at high chloride background.
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