A theoretical study into a trans-dioxo MnV porphyrin complex that does not follow the oxygen rebound mechanism in C-H bond activation reactions
- 등재 SCIE, SCOPUS
- 발행기관 Royal Society of Chemistry
- 발행년도 2016
- 총서유형 Journal
- URI http://www.dcollection.net/handler/ewha/000000123398
- 본문언어 영어
- Published As http://dx.doi.org/10.1039/c5cc08734a
- 저작권 이화여자대학교 논문은 저작권에 의해 보호받습니다.
초록/요약
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. © The Royal Society of Chemistry.
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