CATION-ANION INTERACTIONS IN [Mo3S7(Et2dtc)3](Et2dtc) SOLUTIONS
A. L. Gushchin1,2, M. R. Ryzhikov1,2, N. B. Kompan'kov1, N. K. Moroz1, M. N. Sokolov1,2
1Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
2Novosibirsk National Research State University, Novosibirsk, Russia
Keywords: кластерный комплекс, молибден, дитиокарбамат, квантово-химические расчеты, DOSY ЯМР, cluster complex, molybdenum, dithiocarbamate, quantum chemical calculations, DOSY NMR
Abstract
Quantum chemical calculations of the [Mo3S7(Et2dtc)3](Et2dtc) complex in different solvents are performed. It is shown that the binding energy between the cluster [Mo3S7(Et2dtc)3]+ cation and the outer-sphere (Et2dtc)- 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.
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