Acceptor switching and axial rotation of the water dimer in matrices, observed by infrared spectroscopy
Acceptor switching and axial rotation of the water dimer in matrices, observed by infrared spectroscopy
复制标题
DOI：
10.1063/1.3460457
复制
发表时间：
2010-08-21
影响因子：
4.4
通讯作者：
Nelander, B.
中科院分区：
文献类型：
--
作者：
Ceponkus, J.;Uvdal, P.;Nelander, B.
水二聚体的几种同位素在不同的基质（Ne，Ar，Kr和p-H（2））中在非常低的温度下进行了研究。一个精细的结构，这是或多或少的矩阵独立和非常相似的不同的分子内的基本原理相同的同位素二聚体，是存在于高波数侧的主要成分。供体的结合OD（OH）延伸具有温度依赖性组分。精细结构和温度依赖性被解释为受体开关和旋转的水二聚体在这里研究的矩阵中围绕其O-O轴的证据。H（2）O中的慢自旋平衡抑制了H（2）O-DOH和H（2）O-DOD中受主开关态之间的热平衡。与气相相比，冷凝环境减慢受体转换速率。质子受体的反对称伸缩是通过结合来自不同矩阵的信息与旋转受体开关模型来分配的。(C)2010年美国物理学会。[doi：10.1063/1.3460457]
Several isotopologues of the water dimer have been studied in different matrices (Ne, Ar, Kr, and p-H(2)) at very low temperatures. A fine structure, which is more or less matrix independent and very similar for different intramolecular fundamentals of the same isotopologic dimer, is present on the high wavenumber side of the main component. The bound OD (OH) stretches of the donor have temperature dependent components. The fine structure and temperature dependency is interpreted as evidence for acceptor switching and rotation of the water dimer around its O-O axis in the matrices studied here. The slow nuclear spin equilibration in H(2)O inhibits the thermal equilibration between the acceptor switching states in H(2)O-DOH and H(2)O-DOD. The condensed environment slows down the acceptor switching rate compared to the gas phase. The antisymmetric stretch of the proton acceptor is assigned by combining information from different matrices with the rotation-acceptor switching model. (C) 2010 American Institute of Physics. [doi:10.1063/1.3460457]