Expanding the donor–acceptor toolbox with a minimal 5-(thiophen-2-yl)-1,3-thiazole core: transition metal-free synthesis and molecular design for HOMO–LUMO energy modulations

Abstract

Synthesis of a minimal 5-(thiophen-2-yl)-1,3-thiazole core through a transition metal-free, versatile [4+1] route is reported. DFT calculations on a prototype library of D–A–D–A tetrads established the exquisite HOMO–LUMO energy modulation by varying peripheral D/A groups. Our results indicate the vast scope of this novel core in molecular engineering of materials for optoelectronics.