Quantum entanglement and nonlocal proton transfer dynamics in dimers of formic acid and analogues

被引：33

作者：

Fillaux, F ^{[1
]}

机构：

[1] Univ Paris 06, CNRS, LADIR, UMR 7075, F-94320 Thiais, France

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 408卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2005.04.069

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：

Whether interconversion of hydrogen bonded centrosymmetric dimers of formic acid occurs through stepwise single-proton or pairwise double-proton transfer is a subject of controversy arising from a misleading treatment of proton dynamics. Quantum entanglement suggests a totally different mechanism. Dimers are in a superposition of indistinguishable tautomers for which interconversion is irrelevant. Disentanglement opens a tunneling channel for single-proton transfer across a nonlocal symmetrical double minimum potential. The nonlocal dynamics of a disentangled dimer is that of half-protons located at four sites with D-2h symmetry. (c) 2005 Elsevier B.V. All rights reserved.

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页码：302 / 306

页数：5

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