Article
Ground and Excited State Intramolecular Proton Transfer in OCCNN Ring
Chemical Physics Letters
(1993)
Abstract
Molecular orbital calculations reveal that the keto tautomer of HOCHCHNHNCH2, unlike the enol, does not represent a minimum in the ground state proton transfer potential. Excitations to the first excited singlet or triplet state leads to a rapid and barrierless transfer to the keto which becomes strongly preferred. Similar conclusion apply to a larger system with a full aromatic ring appended.
Keywords
- Ground,
- excited,
- state,
- intramolecular,
- proton,
- transfer,
- OCCNN,
- ring
Disciplines
Publication Date
1993
Citation Information
X Duan and Steve Scheiner. "Ground and Excited State Intramolecular Proton Transfer in OCCNN Ring" Chemical Physics Letters Vol. 204 (1993) Available at: http://works.bepress.com/steve_scheiner/280/