New 1D diorganotin(iv) dithiolate coordination polymers: crystallographic, computational, Hirshfeld surface and thermal analyses

Abstract

Three new 1D coordination polymers of diorganotin(iv) dithiolates synthesized and the nature of their weak interactions addressed using computational techniques.

New di-n-butyltin(iv)-bis-(1-alkoxy-isoquinoline-4-nitrile thiolate): crystallographic and computational studies

“…In our previous report where benzylcyanide ditihiolate was reacted with di- n -butyltin( iv ) chloride yielded the expected one dimensional coordination polymers of organotin. 18 Additionally, an analogous dithiolate ligand having –OCH 3 group at o -position to (CN)CCS 2 was synthesized and reacted with n -Bu 2 SnCl 2 , that yielded the anticipated product similar to benzylcyanide dithiolate (Scheme S1†) that had been characterized spectroscopically. 18 This suggest that, the presence of o -CN at the aromatic ring in dithiolate is playing vital role in cyclization.…”

“…18 Additionally, an analogous dithiolate ligand having –OCH 3 group at o -position to (CN)CCS 2 was synthesized and reacted with n -Bu 2 SnCl 2 , that yielded the anticipated product similar to benzylcyanide dithiolate (Scheme S1†) that had been characterized spectroscopically. 18 This suggest that, the presence of o -CN at the aromatic ring in dithiolate is playing vital role in cyclization. Apart from this, the attainment of six membered aromatic ring to engender iso-quinoline moiety may be the driving force for this reaction.…”

“…To confirm the purity and composition of Sn-Me and Sn-Et, 2-MeCN-Sn and −140.2, indicated the presence of a penta-coordinated dibutyltinIJIV) moieties in both Sn-Me and Sn-Et, respectively. [18][19][20] Electronic absorption spectroscopy for both Sn-Me and Sn-Et recorded in ethanol displayed three prominent bands (Fig. 1).…”

“…17 In view of this, we recently reported a series of new 1D coordination polymers containing diorganotinIJIV) moieties coordinated to a dinegative dithiolate ligand derived from benzylcyanide amongst which the dimethyltinIJIV) dithiolate displayed interesting C⋯Sn tetrel bonding. 18 Hence, to further extend this work and in our continuous pursuit to engender newer supramolecular architectures in new diorganotinIJIV) complexes with dinegative dithiolate ligands we sought to react di-n-butyltinIJIV) dichloride with another dianionic dithiolate ligand derived from 2-(cyanomethyl)benzonitrile. Fortuitously, instead of giving the expected normal product, the reaction yielded di-n-butyltinIJIV)-bis-(1-methoxy-isoquinoline-4-nitrile thiolate) (Sn-Me) and di-n-butyltinIJIV)-bis-(1-ethoxy-isoquinoline-4-nitrile thiolate)…”

“…17 In view of this, we recently reported a series of new 1D coordination polymers containing diorganotin( iv ) moieties coordinated to a dinegative dithiolate ligand derived from benzylcyanide amongst which the dimethyltin( iv ) dithiolate displayed interesting C⋯Sn tetrel bonding. 18…”