Display options
Cite
Ernzerhof M, Bahmann H, Goyer F, et al. Electron Transmission through Aromatic Molecules. J Chem Theory Comput. 2006;2(5):1291-7doi: 10.1021/ct600087c.
Ernzerhof, M., Bahmann, H., Goyer, F., Zhuang, M., & Rocheleau, P. (2006). Electron Transmission through Aromatic Molecules. Journal of chemical theory and computation, 2(5), 1291-7. https://doi.org/10.1021/ct600087c
Ernzerhof, Matthias, et al. "Electron Transmission through Aromatic Molecules." Journal of chemical theory and computation vol. 2,5 (2006): 1291-7. doi: https://doi.org/10.1021/ct600087c
Ernzerhof M, Bahmann H, Goyer F, Zhuang M, Rocheleau P. Electron Transmission through Aromatic Molecules. J Chem Theory Comput. 2006 Sep;2(5):1291-7. doi: 10.1021/ct600087c. PMID: 26626837.
Copy Download .nbib Format: NLM
Share it on

J Chem Theory Comput. 2006 Sep;2(5):1291-7. doi: 10.1021/ct600087c.

Electron Transmission through Aromatic Molecules.

Journal of chemical theory and computation

Matthias Ernzerhof, Hilke Bahmann, Francois Goyer, Min Zhuang, Philippe Rocheleau

Affiliations

  1. Département de Chimie, Université de Montréal, C.P. 6128 Succursale A, Montréal, Québec H3C 3J7, Canada.

PMID: 26626837 DOI: 10.1021/ct600087c

Abstract

A prominent feature of aromatic compounds is the ring current that can be observed indirectly in nuclear magnetic resonance experiments. This current is generated by an external magnetic field. In molecular electronics, molecules serve as conductors, and they are connected to metallic contacts that act as electron sources and electron sinks. We show that ring currents can also be found in molecular electronic devices containing cyclic π-electron systems. The circular currents are related to interference phenomena that can render the molecule impenetrable to electrons. While only small currents pass through the molecule, large internal circular currents are stimulated. We conjecture that the internal currents should result in experimentally observable magnetic moments.

Publication Types