Electric field control of proton-transfer molecular switching: molecular dynamics study on salicylidene aniline

Literature Information

Publication Date 2015-05-06
DOI 10.1039/C5CP00686D
Impact Factor 3.676
Authors

Joanna Sadlej, Andrzej L. Sobolewski


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Abstract

In this letter, we propose a novel, ultrafast, efficient molecular switch whose switching mechanism involves the electric field-driven intramolecular proton transfer. By means of ab initio quantum chemical calculations and on-the-fly dynamics simulations, we examine the switching performance of an isolated salicylidene aniline molecule and analyze the perspectives of its possible use as an electric field-controlled molecular electronics unit.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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