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 Drożdżewski; Sidra Nawaz; Muhammad Monim-ul-Mehboob; Saeed Ahmad

doi:10.1016/j.cplett.2018.08.034

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 Drożdżewski
, Sidra Nawaz
, Muhammad Monim-ul-Mehboob
, Saeed Ahmad

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

6 Scopus citations

Abstract

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⋯Ag⋯Ag interactions with the interatomic Ag⋯Ag distance of 3.230 Å. 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.

Original language	English
Pages (from-to)	11-15
Number of pages	5
Journal	Chemical Physics Letters
Volume	709
DOIs	https://doi.org/10.1016/j.cplett.2018.08.034
State	Published - Oct 2018
Externally published	Yes

Keywords

Argentophilic interactions
cis-1,2-Diaminocyclohexane
Copper(II) complex
Dicyanidoargentate(I)
EDA
MP2

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10.1016/j.cplett.2018.08.034

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Michalczyk, M., Zierkiewicz, W., Drożdżewski, P., Nawaz, S., Monim-ul-Mehboob, M., & Ahmad, S. (2018). 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 Chemical Physics Letters, 709, 11-15. https://doi.org/10.1016/j.cplett.2018.08.034

@article{cbd7197800944cf897c3355cde7ee1e1,

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 ",

abstract = "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⋯Ag⋯Ag interactions with the interatomic Ag⋯Ag distance of 3.230 {\AA}. 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.",

keywords = "Argentophilic interactions, cis-1,2-Diaminocyclohexane, Copper(II) complex, Dicyanidoargentate(I), EDA, MP2",

author = "Mariusz Michalczyk and Wiktor Zierkiewicz and Piotr Dro{\.z}d{\.z}ewski and Sidra Nawaz and Muhammad Monim-ul-Mehboob and Saeed Ahmad",

note = "Publisher Copyright: {\textcopyright} 2018 Elsevier B.V.",

year = "2018",

month = oct,

doi = "10.1016/j.cplett.2018.08.034",

language = "English",

volume = "709",

pages = "11--15",

journal = "Chemical Physics Letters",

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publisher = "Elsevier B.V.",

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Michalczyk, M, Zierkiewicz, W, Drożdżewski, P, Nawaz, S, Monim-ul-Mehboob, M & Ahmad, S 2018, '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 ', Chemical Physics Letters, vol. 709, pp. 11-15. https://doi.org/10.1016/j.cplett.2018.08.034

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 . / Michalczyk, Mariusz; Zierkiewicz, Wiktor; Drożdżewski, Piotr et al.
In: Chemical Physics Letters, Vol. 709, 10.2018, p. 11-15.

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

TY - JOUR

T1 - 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

AU - Michalczyk, Mariusz

AU - Zierkiewicz, Wiktor

AU - Drożdżewski, Piotr

AU - Nawaz, Sidra

AU - Monim-ul-Mehboob, Muhammad

AU - Ahmad, Saeed

PY - 2018/10

Y1 - 2018/10

N2 - 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⋯Ag⋯Ag interactions with the interatomic Ag⋯Ag distance of 3.230 Å. 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.

AB - 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⋯Ag⋯Ag interactions with the interatomic Ag⋯Ag distance of 3.230 Å. 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.

KW - Argentophilic interactions

KW - cis-1,2-Diaminocyclohexane

KW - Copper(II) complex

KW - Dicyanidoargentate(I)

KW - EDA

KW - MP2

UR - https://www.scopus.com/pages/publications/85051629734

U2 - 10.1016/j.cplett.2018.08.034

DO - 10.1016/j.cplett.2018.08.034

M3 - Article

AN - SCOPUS:85051629734

SN - 0009-2614

VL - 709

SP - 11

EP - 15

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

Michalczyk M, Zierkiewicz W, Drożdżewski P, Nawaz S, Monim-ul-Mehboob M, Ahmad S. 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 Chemical Physics Letters. 2018 Oct;709:11-15. doi: 10.1016/j.cplett.2018.08.034

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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