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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

Title
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
Authors
Cho, Kyung-BinNam, Wonwoo
Ewha Authors
남원우
SCOPUS Author ID
남원우scopus
Issue Date
2016
Journal Title
CHEMICAL COMMUNICATIONS
ISSN
1359-7345JCR Link1364-548XJCR Link
Citation
vol. 52, no. 5, pp. 904 - 907
Publisher
ROYAL SOC CHEMISTRY
Indexed
SCI; SCIE; SCOPUS WOS scopus
Abstract
Previous experimental results revealed that the C-H bond activation reaction by a synthetic trans-dioxo Mn-V porphyrin complex, [(TF(4)TMAP)(OMnO)-O-V](3+), does not occur via the well-known oxygen rebound mechanism, which has been well demonstrated in (FeO)-O-IV porphyrin pi-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.
DOI
10.1039/c5cc08734a
Appears in Collections:
자연과학대학 > 화학·나노과학전공 > Journal papers
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