Structural model of gold and silver fluorescent clusters

Vdovichev A.A., Ramazanov R.R., Kononov A.I.
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Present work is dedicated to systematic study of equilibrium configurations of gold and silver clusters in size from 2 to 9 atoms. To the lowest energy configurations is performed calculation of electronic excitation spectra. All calculations are carried out within the framework of density functional theory (DFT) using the hybrid B3LYP functional and ECP LANL2DZ. Based on the analysis of the received electronic excitation spectra we try to confirm the assumption that small gold and silver clusters, capable of luminescence can be produced only in the presence of a stabilizing template. The authors show that without stabilization in the solution formed “flat” and “spherical” configuration whose spectra do not correspond to the experimental luminescence excitation spectra for DNA cluster complexes.

Keywords: silver and gold clusters, DNA, electronic excitation spectra, DFT
Citation in English: Vdovichev A.A., Ramazanov R.R., Kononov A.I. Structural model of gold and silver fluorescent clusters // Computer Research and Modeling, 2015, vol. 7, no. 2, pp. 263-269
Citation in English: Vdovichev A.A., Ramazanov R.R., Kononov A.I. Structural model of gold and silver fluorescent clusters // Computer Research and Modeling, 2015, vol. 7, no. 2, pp. 263-269
DOI: 10.20537/2076-7633-2015-7-2-263-269
URL: http://crm-en.ics.org.ru/journal/article/2262/
Creative Commons License This work is licensed under a Creative Commons Attribution-NoDerivs 3.0 Unported License.
According to Crossref, this article is cited by:
  • Ruslan R. Ramazanov, Tomash S. Sych, Zakhar V. Reveguk, Dmitriy A. Maksimov, Artem A. Vdovichev, Alexei I. Kononov. Ag–DNA Emitter: Metal Nanorod or Supramolecular Complex?. // The Journal of Physical Chemistry Letters. — 2016. — V. 7, no. 18. — P. 3560. DOI: 10.1021/acs.jpclett.6b01672
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