In-silico screening of near-infrared (NIR)-emissive polycyclic aromatic hydrocarbons is reported by Kazuhiro J. Fujimoto, Takeshi Yanai, Shigehiro Yamaguchi et al. in their Communication (e202403829). Using a two-boron-doping/two-thiophene-fusion strategy anchored on the perylene scaffold, comprehensive structure generation followed by DFT calculations produces promising candidates. The validity of this approach is underscored by the experimental synthesis of dithieno-diboraperylene, showcasing intense NIR-emission.
No takes yet. Share an insight, caveat, or question.
Hattori et al. (2024) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: