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

doi:10.1039/c5cc08734a

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

Kyung Bin Cho, Wonwoo Nam

Department of Chemistry & Nanoscience

Research output: Contribution to journal › Article › peer-review

17 Scopus citations

Abstract

Previous experimental results revealed that the C-H bond activation reaction by a synthetic trans-dioxo Mn^V porphyrin complex, [(TF₄TMAP)OMn^VO]³⁺, does not occur via the well-known oxygen rebound mechanism, which has been well demonstrated in Fe^IVO 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
Pages (from-to)	904-907
Number of pages	4
Journal	Chemical Communications
Volume	52
Issue number	5
DOIs	https://doi.org/10.1039/c5cc08734a
State	Published - 2016

Bibliographical note

Publisher Copyright:
© The Royal Society of Chemistry.

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10.1039/c5cc08734a

Cite this

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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.",

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AU - Nam, Wonwoo

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PY - 2016

Y1 - 2016

N2 - 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.

AB - 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.

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DO - 10.1039/c5cc08734a

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