Open AccessSynthesis of Molecular Dodecanuclear Carbon-centered Rhenium Cluster Re12CS17 and its Conducting Properties
Author(s) -
V. E. Fedorov,
С. П. Габуда,
S. G. Kozlova,
Yakov M. Gayfulin,
Yuri V. Mironov,
Maxim R. Rizhikov,
Н. Ф. Уваров
Publication year - 2012
Publication title -
croatica chemica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.214
H-Index - 50
eISSN - 1334-417X
pISSN - 0011-1643
DOI - 10.5562/cca1973
Subject(s) - rhenium , cluster (spacecraft) , carbon fibers , chemistry , materials science , nanotechnology , computer science , inorganic chemistry , composite number , composite material , programming language
The unique dodecanuclear cluster compound Re12CS17 was prepared and studied by X-ray, complex impedance method and density functional theory (DFT). The compound is amorphous, possesses semiconducting properties. Computer simulations showed that the Re and S atoms at the external borders of the neighboring molecules Re12CS17 can form sufficiently strong Re•••S intermolecular bonds, similar to the Mo•••S intermolecular bonds of cuboctahedron Mo6S8 molecules in the Chevrel phases. (doi: 10.5562/cca1973