464180-73-2Relevant academic research and scientific papers
Excited-state double-proton transfer on 3-methyl-7-azaindole in a single crystal: Deuterium isotope/tunneling effect
Yu, Wei-Shan,Cheng, Chung-Chih,Chang, Chen-Pin,Wu, Guo-Ray,Hsu, Chin-Hao,Chou, Pi-Tai
, p. 8006 - 8012 (2002)
Unlike 7-azaindole consisting of the tetrameric configuration, 3-methyl-7-azaindole (3MAI) exists solely as intact double hydrogen-bonded dimeric forms in a single crystal. Both steady-state and time-resolved measurements down to 8.0 K reveal remarkable deuterium isotope effects on the rate of excited-state double proton transfer (ESDPT) in the N(1)-deuterated 3MAI (3MAI-d) single crystal. The rates of ESDPT for the 3MAI-d dimer resolved at 150 K are mainly governed by the proton tunneling mechanism. At 12 K, the nearly temperature-independent ESDPT dynamics lead us to qualitatively deduce a barrier height of ~ 1.73 kcal/mol for the 3MAI-d dimer. The results provide an ideal model to investigate the intrinsic ESDPT dynamics for 7-azaindole analogues in which the structural information is well documented.
