Exploration and elaboration of photo-induced proton transfer dynamical mechanism for novel 2-[1,3]dithian-2-yl-6-(7aH-indol-2-yl)-phenol sensor
Xu Lei1, Zhang Tian-Jie1, Zhang Qiao-Li1, Yang Da-Peng1, 2, †
       

PECs for DIP system via fixing O–H bond distance along intramolecular hydrogen bond O–H⋯N in S0 and S1 states, showing TS structure and its vibrational direction. 1 Hartree = 4.3597 × 10−18 J.