Moscow University Chemistry Bulletin, volume 73, issue 5, pages 251-256
Interaction of Silver Clusters with Cholesterol Ligands
Publication type: Journal Article
Publication date: 2018-09-01
Journal:
Moscow University Chemistry Bulletin
Quartile SCImago
Q4
Quartile WOS
—
Impact factor: 0.6
ISSN: 00271314, 19350260
General Chemistry
Abstract
The structures of small silver clusters (Ag2, Ag3, Ag13) and their interaction with ligands of the cholesterol series, namely, cholesterol (Ch) and thiocholesterol (TCh), are calculated by the density functional theory (DFT) methods and the second-order Møller–Plesset perturbation theory (MP2). Trends in the geometric structure and interaction energy of the silver–cholesterol ligand cluster are estimated depending on the size of the metal cluster and the replacement of cholesterol by the sulfur-containing analogue. For Ch–Ag13 and TCh–Ag13 systems, the geometric structure of the metallic subsystem is a slightly distorted icosahedron with the Ag–Ag bond length ranged 2.8–3.0 Å. Cholesterol is coordinated to the icosahedral facet so that the shortest Ag–O distances range from 2.3 to 2.4 Å. In the case of thiocholesterol, a configuration in which the ligand is coordinated by the edge of the icosahedron with two approximately equal distances of Ag–S (2.537 and 2.547 Å) is preferable.
Citations by journals
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1
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Russian Journal of Physical Chemistry A
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Russian Journal of Physical Chemistry A
1 publication, 50%
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Moscow University Chemistry Bulletin
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Moscow University Chemistry Bulletin
1 publication, 50%
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1
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Citations by publishers
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1
2
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Pleiades Publishing
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Pleiades Publishing
2 publications, 100%
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1
2
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Ermilov A. et al. Interaction of Silver Clusters with Cholesterol Ligands // Moscow University Chemistry Bulletin. 2018. Vol. 73. No. 5. pp. 251-256.
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Ermilov A., Lukyanova E. S., Gromova Ya. A., Shabatina T. I. Interaction of Silver Clusters with Cholesterol Ligands // Moscow University Chemistry Bulletin. 2018. Vol. 73. No. 5. pp. 251-256.
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TY - JOUR
DO - 10.3103/S0027131418050048
UR - https://doi.org/10.3103%2FS0027131418050048
TI - Interaction of Silver Clusters with Cholesterol Ligands
T2 - Moscow University Chemistry Bulletin
AU - Ermilov, A.Yu.
AU - Lukyanova, E S
AU - Gromova, Ya A
AU - Shabatina, T I
PY - 2018
DA - 2018/09/01 00:00:00
PB - Pleiades Publishing
SP - 251-256
IS - 5
VL - 73
SN - 0027-1314
SN - 1935-0260
ER -
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@article{2018_Ermilov,
author = {A.Yu. Ermilov and E S Lukyanova and Ya A Gromova and T I Shabatina},
title = {Interaction of Silver Clusters with Cholesterol Ligands},
journal = {Moscow University Chemistry Bulletin},
year = {2018},
volume = {73},
publisher = {Pleiades Publishing},
month = {sep},
url = {https://doi.org/10.3103%2FS0027131418050048},
number = {5},
pages = {251--256},
doi = {10.3103/S0027131418050048}
}
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Ermilov, A.Yu., et al. “Interaction of Silver Clusters with Cholesterol Ligands.” Moscow University Chemistry Bulletin, vol. 73, no. 5, Sep. 2018, pp. 251-256. https://doi.org/10.3103%2FS0027131418050048.
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