Journal article

Charge Transport Through a Cardan-Joint Molecule

Publication Details
Author(s): Ruben M, Landa A, Lörtscher E, Riel H, Mayor M, Görls H, Weber HB, Arnold A, Evers F
Journal: Small
Publisher: Wiley-VCH Verlag
Publication year: 2008
Volume: 4
Journal issue: 12
Pages range: 2229-2235
ISSN: 1613-6810
Language: English


The charge transport through a single ruthenium. atom clamped by two terpyridine hinges is investigated, both experimentally and theoretically. The metal-bis(terpyridyl) core is equipped with rigid, conjugated linkers of para-acetyl-mercapto phenylacetylene to establish electrical contact in a two-terminal configuration using Au electrodes. The structure of the [Ru(II)(L)(2)](PF(6))(2) molecule is determined using single-crystal X-ray crystallography, which yields good agreement with calculations based on density functional theory (LIFT). By means of the mechanically controllable break-junction technique, current voltage (I-V), characteristics of [RU(II)(L)(2)](PF(6))(2) are acquired on a single-molecule level under ultra-high vacuum (UHV) conditions at various temperatures. These results are compared to ab initio transport calculations based on DFT. The simulations show that the cardan-joint structural element of the molecule controls the magnitude of the current. Moreover, the fluctuations in the cardan. angle leave the positions of steps in the I-V curve largely invariant. As a consequence, the experimental I-V characteristics exhibit lowest-unoccupied-molecular-orbit-based conductance peaks at particular voltages, which are also found to be temperature independent.

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How to cite
APA: Ruben, M., Landa, A., Lörtscher, E., Riel, H., Mayor, M., Görls, H.,... Evers, F. (2008). Charge Transport Through a Cardan-Joint Molecule. Small, 4(12), 2229-2235.

MLA: Ruben, Mario, et al. "Charge Transport Through a Cardan-Joint Molecule." Small 4.12 (2008): 2229-2235.

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