Cation-anion interactions in [Mo3S7(Et2dtc)3](Et2dtc) solutions

被引：2

作者：

Gushchin, A. L. ^{[1
,2
]}

Ryzhikov, M. R. ^{[1
,2
]}

Kompan'kov, N. B. ^{[1
]}

Moroz, N. K. ^{[1
]}

Sokolov, M. N. ^{[1
,2
]}

机构：

[1] Russian Acad Sci, Siberian Branch, Nikolaev Inst Inorgan Chem, Novosibirsk, Russia

[2] Novosibirsk Natl Res State Univ, Novosibirsk, Russia

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2016年 / 57卷 / 02期

关键词：

cluster complex; molybdenum; dithiocarbamate; quantum chemical calculations; DOSY NMR; COMPLEXES; APPROXIMATION; MOLYBDENUM; REACTIVITY; CLUSTERS; ENERGY;

D O I：

10.1134/S0022476616020190

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Quantum chemical calculations of the [Mo3S7(Et(2)dtc)(3)](Et(2)dtc) complex in different solvents are performed. It is shown that the binding energy between the cluster [Mo3S7(Et(2)dtc)(3)](+) cation and the outersphere (Et(2)dtc)(-) anion exponentially decreases with increase in the solvent dielectric permittivity. By DOSY NMR it is determined that in chloroform, the cationic and anionic moieties of the complex form an associate (contact ion pair), while in strongly polar dimethyl sulfoxide these moieties move independently of one another.

引用

页码：376 / 381

页数：6

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