Synthesis, Characterization, and Computation of Benzodithienothiadiazole-based Small Molecular Fragments (DT-BTD)

Abstract

Benzodithienothiadiazoles (DT-BTDs) are a class of small molecular fragments with rigid planar conjugated structures, which are simple and easy to synthesize with high yields. There is currently an essential structure for constructing efficient polymer materials. unit. Synthesis, characterization, and calculation of small molecule fragments based on benzodithienothiadiazole are comprehensive experiments using organic chemistry research methods. This paper aims to improve students' essential operational and analytical ability in organic synthesis to apply experimentally. It is combined with the textbook content to deepen the understanding of the textbook content. In addition, the infrared spectroscopy, ultraviolet spectroscopy, and hydrogen nuclear magnetic resonance spectroscopy of DT-BTD molecules, infrared spectroscopy, and ultraviolet spectroscopy calculations using Gaussian software are supplements to the current undergraduate experimental teaching in computational chemistry. This experiment is conformed to the innovative undergraduate experimental design, which can comprehensively improve undergraduates' experimental literacy. It can broaden their knowledge and cultivate the ability to independently use modern instrumental analysis methods.