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Frustrated Rotations in Single-Molecule Junctions

Journal Article · · Journal of American Chemical Society
DOI:https://doi.org/10.1021/ja903731m· OSTI ID:970520

We compare the conductance of 1,4-bis(methylthio)benzene with that of 2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b{prime}]dithiophene and the conductance of 1,4-bis(methylseleno)benzene with that of 2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b{prime}]diselenophene and show explicitly that the orientation of an Au-S or Au-Se bond relative to the aromatic {pi} system controls electron transport through conjugated molecules. Specifically, we have found that the conduction pathway connects the Au electrodes to the aromatic {pi}-system via the chalcogen p lone pairs, and greater overlaps among these components lead to higher conductivity through the molecular junction.

Research Organization:
Brookhaven National Laboratory (BNL) Center For Functional Nanomaterials
Sponsoring Organization:
Doe - Office Of Science
DOE Contract Number:
AC02-98CH10886
OSTI ID:
970520
Report Number(s):
BNL--90189-2009-JA; KC020401H
Journal Information:
Journal of American Chemical Society, Journal Name: Journal of American Chemical Society Journal Issue: 31 Vol. 131; ISSN 0002-7863
Country of Publication:
United States
Language:
English