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由于复杂运动导致的氢键固体中的1H和2H NMR弛豫:越过势垒的经典跳跃和非相干隧穿。

1H and 2H NMR relaxation in hydrogen-bonded solids due to a complex motion: classical jumps over a barrier and incoherent tunneling.

作者信息

Reynhardt E C, Latanowicz L

机构信息

Department of Physics, University of South Africa, Pretoria, 0003, South Africa.

出版信息

J Magn Reson. 1998 Feb;130(2):195-208. doi: 10.1006/jmre.1997.1297.

Abstract

Equations for the temperature dependence of proton and deuteron spin-lattice relaxation rates and second moments due to a complex motion consisting of classical jumps over a potential barrier and quantum mechanical tunneling through the barrier have been derived. Asymmetric double and triple potential wells are considered. These equations have been employed to analyze proton spin-lattice relaxation data for solid naphthazarin in the laboratory and rotating frames as a function of temperature. It is shown that tunneling plays an important role in the proton transfer dynamics of this compound.

摘要

已经推导了由于由越过势垒的经典跳跃和通过势垒的量子力学隧穿组成的复杂运动而导致的质子和氘核自旋 - 晶格弛豫率以及二阶矩与温度的依赖关系的方程。考虑了不对称双势阱和三势阱。这些方程已被用于分析实验室坐标系和旋转坐标系中固体萘茜的质子自旋 - 晶格弛豫数据作为温度的函数。结果表明,隧穿在该化合物的质子转移动力学中起着重要作用。

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