Email this article Chemical Properties of Gold Clusters as Dependent on the Structure and Doping by 5d Elements
- Authors: Yarzhemsky V.G.1, D’yakov Y.A.2, Izotov A.D.1, Izotova V.O.1
-
Affiliations:
- Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
- Genomics Research Center, Academia Sinica
- Issue: Vol 64, No 10 (2019)
- Pages: 1242-1248
- Section: Theoretical Inorganic Chemistry
- URL: https://journals.rcsi.science/0036-0236/article/view/169516
- DOI: https://doi.org/10.1134/S0036023619100188
- ID: 169516
Cite item
Open Access
Access granted
Subscription Access
Abstract
The interaction of a terminal thiol group with gold clusters and Au12M intermetallic clusters has been studied by quantum-chemical methods. The energy of addition of the SH group has been found to have the least value for the most stable of the known clusters, which do not change their structure upon addition of the SH group. The highest energy of addition of the terminal thiol group is accompanied with structural modifications of the initial cluster.
Keywords
About the authors
V. G. Yarzhemsky
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Author for correspondence.
Email: vgyar@igic.ras.ru
Russian Federation, Moscow, 119991
Yu. A. D’yakov
Genomics Research Center, Academia Sinica
Email: vgyar@igic.ras.ru
Taiwan, Province of China, Taipei, 115
A. D. Izotov
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Email: vgyar@igic.ras.ru
Russian Federation, Moscow, 119991
V. O. Izotova
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Email: vgyar@igic.ras.ru
Russian Federation, Moscow, 119991
Supplementary files
