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

被引：19

作者：

Jankowska, Joanna ^{[1
,2
]}

Sadlej, Joanna ^{[2
]}

Sobolewski, Andrzej L. ^{[3
]}

机构：

[1] Univ Warsaw, Coll Interfaculty Individual Studies Math & Nat S, PL-02089 Warsaw, Poland

[2] Univ Warsaw, Fac Chem, PL-02093 Warsaw, Poland

[3] Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2015年 / 17卷 / 22期

关键词：

SURFACE-HOPPING PROGRAM; NEWTON-X; PHOTOCHROMISM; CONDUCTANCE; AZOBENZENE; PHOTODYNAMICS; TRANSIENT; MEMORIES; DRIVEN; SA;

D O I：

10.1039/c5cp00686d

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

收藏

页码：14484 / 14488

页数：5

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