Panchromatic Organoboron Molecules with Tunable Absorption Spectra

Panchromatic molecules, e. g. organic small molecules with wide absorption spectra, are very desirable for solar energy‐related applications. Here, we report the development of a series of organoboron compounds composed of an organoboron core unit, two π‐bridging units and two electron‐withdrawing end‐capping units. All seven molecules have the HOMO localized on the core unit and the LUMO delocalized on the whole conjugated backbone. They exhibit wide absorption spectra consisting of two strong absorption bands with the full width at half maximum of ca . 280 nm. These panchromatic compounds can be used as electron acceptors in organic solar cells. We elucidate the relationship between the chemical structures and opto‐electronic properties of these organoboron panchromatic compounds. Increasing the electron‐withdrawing capability of the core units results in a downshifted HOMO level as well as blueshifted long‐wavelength absorption band with increased extinction coefficient. Extending the π‐bridging units causes an increased HOMO level and blueshifted long‐wavelength absorption band with increased extinction coefficients. Weakening the electron‐withdrawing capability of the end‐capping units leads to an upshifted LUMO level and blueshifted long‐wavelength absorption peak with decreased extinction coefficient. This work provides insight into the absorption spectrum manipulation of panchromatic molecules and would pave the way for the development of solar energy‐related applications.