New 1D diorganotin(iv) dithiolate coordination polymers: crystallographic, computational, Hirshfeld surface and thermal analyses. Issue 11 (26th February 2020)

• Record Type: Journal Article
• Authors: Singh, Pooja; Singh, Amita; Singh, Ayushi; Singh, Ashish Kumar; Kociok-Köhn, Gabriele; Alowais, Ahmad; Abduh, Naaser A. Y.; Muddassir, Mohd.; Kumar, Abhinav
• Is Part Of: CrystEngComm. Volume 22:Issue 11(2020)
• Page Start: 2049
• Page End: 2059
• Publication Date: 2020-02-26
• Subjects: Crystals -- Periodicals; Crystal growth -- Periodicals; Crystallography -- Periodicals; Cristaux -- Périodiques; Cristaux -- Croissance -- Périodiques; Cristallographie -- Périodiques; 548
• DOI: 10.1039/c9ce01917k
• Languages: English
• ISSNs: 1466-8033

Abstract

Abstract : Three new 1D coordination polymers of diorganotin(iv ) dithiolates synthesized and the nature of their weak interactions addressed using computational techniques. Abstract : Three new 1D coordination polymers (CPs) containing diorganotin(iv ) moieties, viz. dimethyltin(iv ) (1 ), di- n -butyltin(iv ) (2 ) and diphenyltin(iv ) (3 ) coordinated to a dinegative dithiolate ligand derived from benzyl cyanide have been synthesized and characterized using elemental analyses, FTIR, 1 H, 13 C and 119 Sn NMR spectroscopy and UV-vis spectroscopy. Single-crystal X-ray diffraction studies for coordination polymers 1 and 2 indicated that the immediate geometry around Sn(iv ) in both the CPs is close to being both distorted square pyramidal and distorted trigonal bipyramidal as suggested by the index of the trigonality ( τ 5 ) 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 stabilized by interesting C⋯Sn interactions along with C–H⋯C, C–H⋯S and C⋯S interactions, while in 2, C–H⋯S, S⋯S and C–H⋯π interactions stabilize 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 interactions 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 single source precursors for tin sulfides.