Synthesis, Characterization, and DFT Investigation of a Zinc(II)–Silver(I) Bimetallic Complex, [Zn(Dmen)2{Ag(CN)2}2][Zn(Dmen)2(H2O)2]{Ag(CN)2}2 (Dmen = N,N′-Dimethylethylenediamine)

Synthesis, Characterization, and DFT Investigation of a Zinc(II)–Silver(I) Bimetallic Complex,... A cyanido bridged Zn(II)-Ag(I) bimetallic complex (I) has been prepared and characterized by IR spectroscopy, thermal analysis, X-ray crystallography (CIF file CCDC no. 884016) and DFT calculations. Thermal analysis shows that the composition of the compound is consistent with the proposed stoichiometry, i.e., [Zn(diamine)2{Ag(CN)2}2] · H2O. The crystal structure of complex I consists of two independent molecules; a trinuclear molecule, [Zn(Dmen)2{Ag(CN)2}2] and an ionic species, [Zn(Dmen)2-(H2O)2]{Ag(CN)2}2; the overall formula being [Zn(Dmen)2{Ag(CN)2}2][Zn(Dmen)2(H2O)2]{Ag(CN)2}2 (I) (Dmen = N,N′-dimethylethylenediamine). The structures of I and two of its analogues, [Zn(Dmen)2{Ag(CN)2}2]2 · 2H2O (II) and {[Zn(Dmen)2{Ag(CN)2}][Ag(CN)2]}2 · 2H2O (III) were predicted by DFT calculations. The DFT results reveal that the structure I is more stable in comparison to the calculated structures, II and III. The X-ray structure of I shows that the complex is also stabilized by the argentophilic interactions. The Ag···Ag interaction energy calculated at the MP2 level of theory is –4.02 kcal mol–1. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Russian Journal of Coordination Chemistry Springer Journals

Synthesis, Characterization, and DFT Investigation of a Zinc(II)–Silver(I) Bimetallic Complex, [Zn(Dmen)2{Ag(CN)2}2][Zn(Dmen)2(H2O)2]{Ag(CN)2}2 (Dmen = N,N′-Dimethylethylenediamine)

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Publisher
Pleiades Publishing
Copyright
Copyright © 2018 by Pleiades Publishing, Ltd.
Subject
Chemistry; Physical Chemistry; Inorganic Chemistry
ISSN
1070-3284
eISSN
1608-3318
D.O.I.
10.1134/S1070328418030041
Publisher site
See Article on Publisher Site

Abstract

A cyanido bridged Zn(II)-Ag(I) bimetallic complex (I) has been prepared and characterized by IR spectroscopy, thermal analysis, X-ray crystallography (CIF file CCDC no. 884016) and DFT calculations. Thermal analysis shows that the composition of the compound is consistent with the proposed stoichiometry, i.e., [Zn(diamine)2{Ag(CN)2}2] · H2O. The crystal structure of complex I consists of two independent molecules; a trinuclear molecule, [Zn(Dmen)2{Ag(CN)2}2] and an ionic species, [Zn(Dmen)2-(H2O)2]{Ag(CN)2}2; the overall formula being [Zn(Dmen)2{Ag(CN)2}2][Zn(Dmen)2(H2O)2]{Ag(CN)2}2 (I) (Dmen = N,N′-dimethylethylenediamine). The structures of I and two of its analogues, [Zn(Dmen)2{Ag(CN)2}2]2 · 2H2O (II) and {[Zn(Dmen)2{Ag(CN)2}][Ag(CN)2]}2 · 2H2O (III) were predicted by DFT calculations. The DFT results reveal that the structure I is more stable in comparison to the calculated structures, II and III. The X-ray structure of I shows that the complex is also stabilized by the argentophilic interactions. The Ag···Ag interaction energy calculated at the MP2 level of theory is –4.02 kcal mol–1.

Journal

Russian Journal of Coordination ChemistrySpringer Journals

Published: Mar 13, 2018

References

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