Theoretical modeling of argentophilic interactions in [Ag(CN)(2)(-)](3) trimer found in a copper(II) complex of cis-1,2-diaminocyclohexane (Dach), [Cu (Dach)(2)-Ag(CN)(2)-Cu(Dach)(2)][Ag(CN)(2)](3)

Mariusz Michalczyk; Wiktor Zierkiewicz; Piotr Drozdzewski; Sidra Nawaz; Muhammad Monim-ul-Mehboob; Saeed Ahmad

doi:10.1016/j.cplett.2018.08.034

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Theoretical modeling of argentophilic interactions in [Ag(CN)(2)(-)](3) trimer found in a copper(II) complex of cis-1,2-diaminocyclohexane (Dach), [Cu (Dach)(2)-Ag(CN)(2)-Cu(Dach)(2)][Ag(CN)(2)](3)

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Theoretical modeling of argentophilic interactions in [Ag(CN)(2)(-)](3) trimer found in a copper(II) complex of cis-1,2-diaminocyclohexane (Dach), [Cu (Dach)(2)-Ag(CN)(2)-Cu(Dach)(2)][Ag(CN)(2)](3)

Mariusz Michalczyk, Wiktor Zierkiewicz, Piotr Drozdzewski, Sidra Nawaz, Muhammad Monim-ul-Mehboob and Saeed Ahmad

Chemical physics letters, Vol.709, pp.11-15

01/10/2018

DOI: https://doi.org/10.1016/j.cplett.2018.08.034

Abstract

Chemistry

Chemistry, Physical

Physical Sciences

Physics

Physics, Atomic, Molecular & Chemical

Science & Technology

Crystal structure study of a copper(II) complex of cis-1,2-diaminocyclohexane (Dach), [Cu(Dach)(2)-Ag(CN)(2)-Cu (Dach)(2)][Ag(CN)(2)](3) (1) reveals the presence of unsupported Ag center dot center dot center dot Ag center dot center dot center dot Ag interactions with the interatomic Ag center dot center dot center dot Ag distance of 3.230 angstrom. Detailed HF, MP2 and BLYP-D3 theoretical investigations of [Ag(CN)(2)(-)](3) trimer, together with AIM, NCI and EDA analyses verified these interactions as noncovalent Ag-Ag bonds with the magnitude of a weak hydrogen bond, mainly electrostatically and dispersively driven.

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Title: Theoretical modeling of argentophilic interactions in [Ag(CN)(2)(-)](3) trimer found in a copper(II) complex of cis-1,2-diaminocyclohexane (Dach), [Cu (Dach)(2)-Ag(CN)(2)-Cu(Dach)(2)][Ag(CN)(2)](3)
Creators - without role: Mariusz Michalczyk - Wrocław University of Science and Technology
Wiktor Zierkiewicz - Wrocław University of Science and Technology
Piotr Drozdzewski - Wrocław University of Science and Technology
Sidra Nawaz - University of Engineering and Technology Lahore
Muhammad Monim-ul-Mehboob - Department of Chemistry, Government Dyal Singh College, Lahore, Pakistan
Saeed Ahmad - Prince Sattam Bin Abdulaziz University
Publication Details: Chemical physics letters, Vol.709, pp.11-15
Publisher: Elsevier
Number of pages: 5
Grant note: Polish Ministry of Science and Higher Education; Ministry of Science and Higher Education, Poland
Identifiers: 9925522808331
Academic Unit: Prince Sattam Bin Abdulaziz University
Language: English
Resource Type: Journal article