Highly luminescent crystals of a novel linear π-conjugated thiophene-phenylene co-oligomer with a benzothiadiazole fragment

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2019 Dec 1;75(Pt 6):1076-1085. doi: 10.1107/S2052520619012484. Epub 2019 Nov 14.

Abstract

The synthesis, growth from solutions and structure of crystals of a new linear thiophene-phenylene co-oligomer with a central benzothiadiazole fragment with a conjugated core, (TMS-2T-Ph)2-BTD, are presented. Single-crystal samples in the form of needles with a length of up to 7 mm were grown and their crystal structure was determined at 85 K and 293 K using single-crystal X-ray diffraction. The conformational differences between the crystal structures are insignificant. The parameters of melting and liquid crystalline phase transitions of (TMS-2T-Ph)2-BTD were established using differential scanning calorimetry and the thermal stability of the crystals was investigated using thermogravimetric analysis. The optical absorption and photoluminescence spectra of the solutions and crystals of (TMS-2T-Ph)2-BTD were obtained, and the kinetics of their photodegradation under the action of UV radiation were studied.

Keywords: X-ray diffraction; crystal growth; crystal structure; functional materials; linear π-conjugated co-oligomer; spectroscopy.