The Role of Quadruple Bonding in the Electron Transport through a Dimolybdenum Tetraacetate Molecule

Dmitry O. Arentov; Maxim R. Ryzhikov; Svetlana G. Kozlova

doi:10.3390/molecules27206912

Molecules (Oct 2022)

The Role of Quadruple Bonding in the Electron Transport through a Dimolybdenum Tetraacetate Molecule

Dmitry O. Arentov,
Maxim R. Ryzhikov,
Svetlana G. Kozlova

Affiliations

Dmitry O. Arentov: Nikolaev Institute of Inorganic Chemistry SB RAS, Acad. Lavrentiev Ave. 3, 630090 Novosibirsk, Russia
Maxim R. Ryzhikov: Nikolaev Institute of Inorganic Chemistry SB RAS, Acad. Lavrentiev Ave. 3, 630090 Novosibirsk, Russia
Svetlana G. Kozlova: Nikolaev Institute of Inorganic Chemistry SB RAS, Acad. Lavrentiev Ave. 3, 630090 Novosibirsk, Russia

DOI: https://doi.org/10.3390/molecules27206912
Journal volume & issue: Vol. 27, no. 20
p. 6912

Abstract

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A dimolybdenum tetraacetate (Mo2(O2CCH3)4) molecule is embedded between two electrodes formed by semi-infinite 1D monatomic chains of lithium, aluminum, and titanium atoms. Electron transport through the Mo2(O2CCH3)4 molecule is calculated. The role of quadrupole bonding in the transport properties of the studied systems is analyzed.

Published in Molecules

ISSN: 1420-3049 (Online)
Publisher: MDPI AG
Country of publisher: Switzerland
LCC subjects: Science: Chemistry: Organic chemistry
Website: http://www.mdpi.com/journal/molecules

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