Journal
ORGANOMETALLICS
Volume 37, Issue 10, Pages 1635-1640Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.organomet.8b00184
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Funding
- National Natural Science Foundation of China [21390402, 21520102003, 21702150]
- 973 Program [2012CB725302]
- CAS Interdisciplinary Innovation Team
- Hubei Province Natural Science Foundation of China [2017CFA010]
- China Postdoctoral Science Foundation [BX201600114, 2016M602340]
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A mechanism involving a quintet ferryl [Fe-IV=O] species has been disclosed for the oxidation of alkene under the FeCl2-TBHP system. Both theoretical and experimental results suggested that the quintet ferry' species [Fe-IV=O] was produced by the reaction of FeCl2 with TBHP. A Mulliken atomic spin density distribution on [Fe-IV=O] showed that the O site has strong radical character and could easily react with alkene to form a carbon radical intermediate. This radical could be further oxidized by TBHP to lead to the C=C bond cleavage of alkene.
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