Kwon, Y.H.; Mai, B.K.; Lee, Y-M.; Dhuri, S.N.; Mandal, D.; Cho, K-B.; Kim, Y.; Shaik, S.; Nam, W.
(Journal of Physical Chemistry Letters. 6(8); 2015; 1472-1476.)
We show by experiments that nonheme FeIVO species react with cyclohexene to yield selective hydrogen atom transfer (HAT) reactions with virtually no C=C epoxidation. Straightforward DFT calculations reveal, however, that ...