Open Access Nano Perspectives

Electronic Switch in the Carbon-Centered [Re12CS17(CN)6] nNanocluster

SP Gabuda1, SG Kozlova12*, Yu V Mironov1 and VE Fedorov13

Author affiliations

1 Nikolayev Institute of Inorganic Chemistry, Russian Academy of Science, Russian Federation, av. Lavrentyeva, 3, 630090, Novosibirsk, Russia

2 Boreskov Institute of Catalysis, Russian Academy of Sciences, Russian Federation, av. Lavrentyeva, 5, 630090, Novosibirsk, Russia

3 Novosibirsk State University, Russian Federation, av. Pirogova, 2, 630090, Novosibirsk, Russia

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Citation and License

Nanoscale Research Letters 2009, 4:1110-1114  doi:10.1007/s11671-009-9354-2

Published: 30 May 2009

Abstract

An abrupt change in internuclear Re–Re distances between {Re6} subunits in the carbon-centered [Re12μ6-CS17(CN)6]ncomplexes caused by the change of the oxidation state (n = 6, 8) is first theoretically shown to be possibly controlled by an external electric field.13C NMR signal is shown to change over ~400 ppm (~37G) for μ6-C atom together withn. Thereby, the metal cluster [Re12μ6-CS17(CN)6]ncan be considered as a perspective model of a molecular switch.

Keywords:
Switch; 12-Rhenium nanocluster; 13C NMR; Electron localization function; DFT