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New 1D Diorganotin(IV) Dithiolate Coordination Polymers: Crystallographic, Computational, Hirshfeld Surface and Thermal Analyses

Abstract

Three new 1D coordination polymers containing diorganotin(IV) moieties viz. dimethyltin(IV) (1), di-n-butyltin(IV) (2) and diphenyltin(IV) (3) coordinated to dinegative dithiolate ligand derived from benzylcyanide have been synthesized and characterized using elemental analyses, FTIR, 1H, 13C, 119Sn NMR spectroscopy and UV-Vis. The single crystal X-ray diffraction studies for coodination polymers 1 and 2 indicated that the immediate geometry around Sn(IV) in both the CPs are near to both distorted square pyramial and distorted trigonal bipyramidal as suggested by the index of the trigonality (τ5) parameter which is satisfied by two aliphatic fragments, two sulfurs of the dithiolate ligand and cyano nitrogen of another dithiolate ligand. The supramolecular architecture in 1 is stablized by interesting C···Sn interactions alongwith C-H···C, C-H···S and C···S interactions while in 2 C-H···S, S···S and C-H···π interactions stabilizes the solid state structure. The weak interactions in both compounds have been addressed with the aid of Hirshfeld surface analyses as well as fingerprint plots and further these intercations have been addressed using quantum theory of atoms-in-molecules (QTAIM) and DFT studies. Also, TGA for all the three compounds indicated that they can also be used as the single source precursors for tin sulfides.

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Supplementary files

Article information


Submitted
03 Dec 2019
Accepted
24 Jan 2020
First published
27 Jan 2020

CrystEngComm, 2020, Accepted Manuscript
Article type
Paper

New 1D Diorganotin(IV) Dithiolate Coordination Polymers: Crystallographic, Computational, Hirshfeld Surface and Thermal Analyses

A. Kumar, P. Singh, A. SINGH, A. Singh, A. Singh, G. Kociok-Kohn, A. Alowais, N. A. Y. Abduh and Mohd. Muddassir, CrystEngComm, 2020, Accepted Manuscript , DOI: 10.1039/C9CE01917K

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