首页|Investigating the mechanism of fluorescence probe of quinoline derivatives for detecting phosgene in gas and liquid phases
Investigating the mechanism of fluorescence probe of quinoline derivatives for detecting phosgene in gas and liquid phases
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NSTL
Elsevier
Based on density functional theory and time-dependent density functional theory, the excited state charge distribution characteristics and fluorescence mechanism of fluorescence probe Q-1 and Q-CN have been discussed. The twisting potential energy curve proves that the diethylamine group in Q-CN will be twisted in S1 state. The frontier molecular orbitals proves that Q-CN has a small degree of charge coupling and the oscillator intensity is close to zero, so it is not conducive to luminescence. The results of "hole-electron" analysis prove that the quenching of Q-CN fluorescence is caused by the delocalization of the charge in S1 state.
NSTL
Elsevier
