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)
- Авторы: Monim-ul-Mehboob M.1, Ramzan M.1, Zierkiewicz W.2, Michalczyk M.2, Mahmood R.1, Altaf M.3, Nadeem S.1, Akhtar M.1, Ahmad S.1
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Учреждения:
- Department of Chemistry
- Faculty of Chemistry
- Center of Excellence in Nanotechnology
- Выпуск: Том 44, № 3 (2018)
- Страницы: 198-206
- Раздел: Article
- URL: https://journals.rcsi.science/1070-3284/article/view/214435
- DOI: https://doi.org/10.1134/S1070328418030041
- ID: 214435
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Аннотация
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.
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Об авторах
M. Monim-ul-Mehboob
Department of Chemistry
Email: saeed_a786@hotmail.com
Пакистан, Lahore
M. Ramzan
Department of Chemistry
Email: saeed_a786@hotmail.com
Пакистан, Lahore, 54890
W. Zierkiewicz
Faculty of Chemistry
Email: saeed_a786@hotmail.com
Польша, Wroclaw, 50-370
M. Michalczyk
Faculty of Chemistry
Email: saeed_a786@hotmail.com
Польша, Wroclaw, 50-370
R. Mahmood
Department of Chemistry
Email: saeed_a786@hotmail.com
Пакистан, Muzaffarabad
M. Altaf
Center of Excellence in Nanotechnology
Email: saeed_a786@hotmail.com
Саудовская Аравия, Dhahran, 31261
S. Nadeem
Department of Chemistry
Email: saeed_a786@hotmail.com
Пакистан, Islamabad
M. Akhtar
Department of Chemistry
Email: saeed_a786@hotmail.com
Пакистан, Islamabad
S. Ahmad
Department of Chemistry
Автор, ответственный за переписку.
Email: saeed_a786@hotmail.com
Саудовская Аравия, Al-Kharj, 11942
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