Theoretical Interpretation of Switching in Experiments with Single Molecules

Identifying the factors that trigger current-switching behavior of single molecules establishes the means by which it may be possible to tailor these molecules to perform as electronic devices. We provide a theoretical interpretation of switching observed in recent experiments with single molecules...

Full description

Saved in:
Bibliographic Details
Published in:Journal of the American Chemical Society 2002-09, Vol.124 (35), p.10266-10267
Main Authors: Seminario, Jorge M, Derosa, Pedro A, Bastos, Jimena L
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Barrier heights (internal rotation, inversion, rotational isomerism, conformational dynamics)
Exact sciences and technology
Molecular properties and interactions with photons
Physics
Properties of molecules and molecular ions
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Identifying the factors that trigger current-switching behavior of single molecules establishes the means by which it may be possible to tailor these molecules to perform as electronic devices. We provide a theoretical interpretation of switching observed in recent experiments with single molecules using quantum chemistry tools. We conclude that the switching observed in the experiment is mostly due to conformational changes and that some charge changes cannot be observed in STM experiments.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja0176090