A sulfur coordination polymer with wide bandgap semiconductivity formed from zinc(II) and 5-methylsulfanyl-1,3,4-thiadiazole-2-thione.

摘要: The sulfur coordination polymer catena-poly[zinc(II)-μ2-bis[5-(methyl­sulfan­yl)-2-sulfanyl­idene-2,3-di­hydro-1,3,4-thia­diazol-3-ido-κ2N3:S]], [Zn(C3H3N2S3)2]n or [Zn2MTT4]n, constructed from Zn2+ ions and 5-methyl­sulfanyl-1,3,4-thia­diazole-2-thione (HMTT), was synthesized successfully structurally char­acterized. [Zn2MTT4]n crystallizes in the tetra­gonal space group I\overline{4} (No. 82). Each MTT− ligand (systematic name: 5-methyl­sulfanyl-2-sulfanyl­idene-2,3-di­hydro-1,3,4-thia­diazol-3-ide) coordinates to two different ZnII ions, one via thione other a ring N atom, with atom being tetra­hedral ZnS4 ZnN4 environment. These units are alternately linked by organic ligands, forming one-dimensional chain structure along c axis. chains further C—H⋯N C—H⋯S hydrogen bonds form three-dimensional network adopting an ABAB-style arrangement that lies both b axes. Hirshfeld surface analysis two-dimensional (2D) fingerprint plots confirm major inter­actions as total of 35.1%, while 7.4% hydrogen-bond inter­actions. possesses high thermal chemical stability linear temperature dependence bandgap room 270 °C. Further investigation revealed changes sharply ammonia, but only fluctuates slightly solvents, indicating its promising application selective sensor.