Bridging Chlorine Atoms Enable the Construction of a Novel ­Benzimidazole-Derived Fluorescent Molecule

Abstract

Herein, we designed and presented a novel benzimidazole-based fluorescent molecule P1 via the construction of Cl bridges. Notably, the structure of P1 was authenticated by X-ray crystallography. Besides, the photophysical properties (absorption and fluorescence spectra) of this molecule were investigated. Furthermore, the fluorescence emission of P1 was further rationalized by density functional theory (DFT) calculations, which illustrated the influence of bridging Cl atoms on the energy level and energy gap (Eg).