Cocrystals Strategy towards Materials for Near‐Infrared Photothermal Conversion and Imaging

Abstract A cocrystal strategy with a simple preparation process is developed to prepare novel materials for near‐infrared photothermal (PT) conversion and imaging. DBTTF and TCNB are selected as electron donor (D) and electron acceptor (A) to self‐assemble into new cocrystals through non‐covalent interactions. The strong D–A interaction leads to a narrow band gap with NIR absorption and that both the ground state and lowest‐lying excited state are charge transfer states. Under the NIR laser illumination, the temperature of the cocrystal sharply increases in a short time with high PT conversion efficiency ( η =18.8 %), which is due to the active non‐radiative pathways and inhibition of radiative transition process, as revealed by femtosecond transient absorption spectroscopy. This is the first PT conversion cocrystal, which not only provides insights for the development of novel PT materials, but also paves the way of designing functional materials with appealing applications.