Abstract
Previous experimental results revealed that the C-H bond activation reaction by a synthetic trans-dioxo MnV porphyrin complex, [(TF4TMAP)OMnVO]3+, does not occur via the well-known oxygen rebound mechanism, which has been well demonstrated in FeIVO porphyrin π-cation radical reactions. In the present study, theoretical calculations offer an explanation through the energetics involved in the C-H bond activation reaction, where a multi-spin state scenario cannot be excluded.
Original language | English |
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Pages (from-to) | 904-907 |
Number of pages | 4 |
Journal | Chemical Communications |
Volume | 52 |
Issue number | 5 |
DOIs | |
State | Published - 2016 |
Bibliographical note
Funding Information:The authors acknowledge financial support from the NRF of Korea through the CRI (NRF-2012R1A3A2048842 to W. N.), GRL (NRF-2010-00353 to W. N.) and MSIP (NRF-2013R1A1A2062737 to K.-B. C.).
Publisher Copyright:
© The Royal Society of Chemistry.