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

16 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.

Access to Document

10.1039/c5cc08734a

Cite this

@article{a4534ece24434d6e9cb011d3c6ef9d33,

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

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.",

author = "Cho, {Kyung Bin} and Wonwoo Nam",

note = "Publisher Copyright: {\textcopyright} The Royal Society of Chemistry.",

year = "2016",

doi = "10.1039/c5cc08734a",

language = "English",

volume = "52",

pages = "904--907",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "5",

}

TY - JOUR

T1 - A theoretical study into a trans-dioxo MnV porphyrin complex that does not follow the oxygen rebound mechanism in C-H bond activation reactions

AU - Cho, Kyung Bin

AU - Nam, Wonwoo

N1 - Publisher Copyright: © The Royal Society of Chemistry.

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.

UR - http://www.scopus.com/inward/record.url?scp=84954063317&partnerID=8YFLogxK

U2 - 10.1039/c5cc08734a

DO - 10.1039/c5cc08734a

M3 - Article

AN - SCOPUS:84954063317

SN - 1359-7345

VL - 52

SP - 904

EP - 907

JO - Chemical Communications

JF - Chemical Communications

IS - 5