Browsing by Author "Lee, Y-M."

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Determination of spin inversion probability, H-tunneling correction and regioselectivity in the two-state reactivity of nonheme iron(IV)-oxo complexes

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 ...
Dioxygen activation and O-O bond formation reactions by manganese corroles

Guo, M.; Lee, Y-M.; Gupta, R.; Seo, M.S.; Ohta, T.; Wang, H-H.; Liu, H-Y.; Dhuri, S.N.; Sarangi, R.; Fukuzumi, S.; Nam, W. (Journal of the American Chemical Society. 139(44); 2017; 15858-15867.)

Activation of dioxygen (O sub(2)) in enzymatic and biomimetic reactions has been intensively investigated over the past several decades. More recently, O-O bond formation, which is the reverse of the O2-activation reaction, ...

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