Abstract
In the present study the behavior of Cu(II) and Zn(II) complexes with ethylenediamine and 2,2′:6′,2′′ terpyridine in an aqueous environment was studied by classical MD simulations. Special attention was paid to the effect of Cu2+ for Zn2+ substitution on complex water surroundings and mobility. The replacement of a metal ion affects the structure of the complex water environment only in the vicinity of its location. However, it changes such a characteristic as the lifetime of a water molecule in the first coordination shell of a metal which can significantly affect the mobility of the complex. Moreover, the degree of influence on translational and rotational mobility can be different.
Acknowledgment
A.V. Egorov acknowledges the support from Saint-Petersburg State University grant 104236506.
Disclosure statement
No potential conflict of interest was reported by the authors.