Ground and excited state intramolecular
✍
Xiaofeng Duan; Steve Scheiner
📂
Article
📅
1993
🏛
Elsevier Science
🌐
English
⚖ 774 KB
Molecular orbital calculations reveal that the keto tautomer of HOCHCHNHNCHz, unlike the enol, does not represent a minimum in the ground state proton transfer potential. Excitation to the first excited singlet or triplet state leads to a rapid and barrierless transfer to the keto which becomes stro