Nonadiabatic reaction mechanisms of the O(3P) with cyclopentene
The complex nonadiabatic reaction pathways are newly revealed. The most probable reaction mechanism is described, which can rationalize the experimentally observed product distributions logically. New product channels are predicted, which involves the formation of cyclopentenol, one kind of enols believed to be the key reaction intermediate in the flame of hydrocarbons.
cyclopentene enol oxygen nonadiabatic pathway minimum energy crossing points