JAHN-TELLER EFFECT IN LIQUIDS - GENERAL-PRINCIPLES AND A MOLECULAR-DYNAMICS SIMULATION OF THE CUPRIC ION IN WATER

被引：29

作者：

CURTISS, L ^{[1
]}

HALLEY, JW ^{[1
]}

WANG, XR ^{[1
]}

机构：

[1] UNIV MINNESOTA,SCH PHYS & ASTRON,MINNEAPOLIS,MN 55455

来源：

PHYSICAL REVIEW LETTERS | 1992年 / 69卷 / 16期

关键词：

D O I：

10.1103/PhysRevLett.69.2435

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We discuss the general conditions under which a Jahn-Teller effect can be meaningfully associated with the solvation shell of an ion in solution. Unlike the Jahn-Teller effect in solids, no distortion of the solvation shell exists on the longest time scales. On intermediate time scales, the solvation shell exhibits cubic (O(h)) symmetry and on the shortest scales it shows the Jahn-Teller distortion (D4h). A molecular-dynamics simulation of a model in which the frame of reference for the Jahn-Teller potential rotates in time exhibits these features and shows how the time scales involved vary with parameters in the potential.

引用

页码：2435 / 2438

页数：4

共 14 条

[1] A COMPUTATIONAL AND EXPERIMENTAL-STUDY ON THE JAHN-TELLER EFFECT IN THE HYDRATED COPPER(II) ION - COMPARISONS WITH HYDRATED NICKEL(II) IONS IN AQUEOUS-SOLUTION AND SOLID TUTTONS SALTS [J].