A phenyl-removal strategy for accessing an efficient dual-state emitter in the red/NIR region guided by TDDFT calculations
Guomin Xia, Qingqing Shao, Kangli Liang, Yigang Wang, Lixia Jiang, Hongming Wang
Abstract
We report here a phenyl-removal strategy in TPE-merged squaraine dyes for accessing intense red/NIR emission in both solution and crystalline states, guided by in-depth TDDFT calculations.
Topics & Concepts
Time-dependent density functional theoryMaterials scienceCommon emitterDual (grammatical number)OptoelectronicsNanotechnologyDensity functional theoryComputational chemistryChemistryLiteratureArtLuminescence and Fluorescent MaterialsMolecular Sensors and Ion DetectionPhotoreceptor and optogenetics research