TDDFT study on a fluorescent probe for distinguishing analogous thiols based on smiles rearrangement

A Thorough Examination of the Variables Affecting the Quantum Efficiency of Radiative Decay of Trichlorotriphenylmethyl Radicals

“…This D−A molecular structure design makes this kind of radical have an anti-Aufbau electronic structure, which greatly improves the stability of the luminous radical molecules in principle while maintaining high luminous efficiency. 17 Generally, molecules in the first excited state have three main pathways for energy decay: (1) radiative decay from the first excited state to the ground state; 18 (2) internal conversion from the first excited state to the ground state; 19 and (3) intersystem crossing between different spin multiplicity excited states. 20,21 The quantum efficiency of a molecule is determined by the competition between radiative transitions and nonradiative transitions in its excited states.…”

“…Generally, molecules in the first excited state have three main pathways for energy decay: (1) radiative decay from the first excited state to the ground state; (2) internal conversion from the first excited state to the ground state; and (3) intersystem crossing between different spin multiplicity excited states. , The quantum efficiency of a molecule is determined by the competition between radiative transitions and nonradiative transitions in its excited states. , Due to the doublet-spin-state feature of radical molecules, their nonradiative transition rates are primarily determined by their internal conversion rates. In order to achieve radical molecules with high quantum efficiency, it is necessary to maximize the radiative decay rate and minimize the nonradiative rate.…”