A theoretical study into a trans-dioxo MnV porphyrin complex that does not follow the oxygen rebound mechanism in C-H bond activation reactions

Kyung Bin Cho, Wonwoo Nam

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

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 languageEnglish
Pages (from-to)904-907
Number of pages4
JournalChemical Communications
Volume52
Issue number5
DOIs
StatePublished - 2016

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