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)

M. Monim-ul-Mehboob; M. Ramzan; W. Zierkiewicz; M. Michalczyk; R. Mahmood; M. Altaf; S. Nadeem; M. Akhtar; S. Ahmad

doi:10.1134/S1070328418030041

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)

M. Monim-ul-Mehboob
, M. Ramzan
, W. Zierkiewicz
, M. Michalczyk
, R. Mahmood
, M. Altaf
, S. Nadeem
, M. Akhtar
, S. Ahmad

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

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 AgAg interaction energy calculated at the MP2 level of theory is –4.02 kcal mol^–1.

Original language	English
Pages (from-to)	198-206
Number of pages	9
Journal	Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya
Volume	44
Issue number	3
DOIs	https://doi.org/10.1134/S1070328418030041
State	Published - 1 Mar 2018
Externally published	Yes

Keywords

DFT
N,N′-dimethylethylenediamine
silver cyanide
zinc(II)

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10.1134/S1070328418030041

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Monim-ul-Mehboob, M., Ramzan, M., Zierkiewicz, W., Michalczyk, M., Mahmood, R., Altaf, M., Nadeem, S., Akhtar, M., & Ahmad, S. (2018). 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). Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, 44(3), 198-206. https://doi.org/10.1134/S1070328418030041

@article{20634d9171c44df093f07e279d789ced,

title = "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)",

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 AgAg interaction energy calculated at the MP2 level of theory is –4.02 kcal mol–1.",

keywords = "DFT, N,N′-dimethylethylenediamine, silver cyanide, zinc(II)",

author = "M. Monim-ul-Mehboob and M. Ramzan and W. Zierkiewicz and M. Michalczyk and R. Mahmood and M. Altaf and S. Nadeem and M. Akhtar and S. Ahmad",

note = "Publisher Copyright: {\textcopyright} 2018, Pleiades Publishing, Ltd.",

year = "2018",

month = mar,

day = "1",

doi = "10.1134/S1070328418030041",

language = "English",

volume = "44",

pages = "198--206",

journal = "Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya",

issn = "1070-3284",

publisher = "Pleiades Publishing",

number = "3",

}

Monim-ul-Mehboob, M, Ramzan, M, Zierkiewicz, W, Michalczyk, M, Mahmood, R, Altaf, M, Nadeem, S, Akhtar, M & Ahmad, S 2018, '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)', Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, vol. 44, no. 3, pp. 198-206. https://doi.org/10.1134/S1070328418030041

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). / Monim-ul-Mehboob, M.; Ramzan, M.; Zierkiewicz, W. et al.
In: Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, Vol. 44, No. 3, 01.03.2018, p. 198-206.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - 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)

AU - Monim-ul-Mehboob, M.

AU - Ramzan, M.

AU - Zierkiewicz, W.

AU - Michalczyk, M.

AU - Mahmood, R.

AU - Altaf, M.

AU - Nadeem, S.

AU - Akhtar, M.

AU - Ahmad, S.

PY - 2018/3/1

Y1 - 2018/3/1

N2 - 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 AgAg interaction energy calculated at the MP2 level of theory is –4.02 kcal mol–1.

AB - 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 AgAg interaction energy calculated at the MP2 level of theory is –4.02 kcal mol–1.

KW - DFT

KW - N,N′-dimethylethylenediamine

KW - silver cyanide

KW - zinc(II)

UR - https://www.scopus.com/pages/publications/85044000204

U2 - 10.1134/S1070328418030041

DO - 10.1134/S1070328418030041

M3 - Article

AN - SCOPUS:85044000204

SN - 1070-3284

VL - 44

SP - 198

EP - 206

JO - Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya

JF - Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya

IS - 3

ER -

Monim-ul-Mehboob M, Ramzan M, Zierkiewicz W, Michalczyk M, Mahmood R, Altaf M et al. 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). Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya. 2018 Mar 1;44(3):198-206. doi: 10.1134/S1070328418030041

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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