Chemical Communications p. 4159 - 4161 (2011)
Update date:2022-08-16
Topics:
Yiu, Shek-Man
Man, Wai-Lun
Wang, Xin
Lam, William W. Y.
Ng, Siu-Mui
Kwong, Hoi-Ki
Lau, Kai-Chung
Lau, Tai-Chu
MnO4- is activated by BF3 to undergo intramolecular coupling of two oxo ligands to generate O2. DFT calculations suggest that there should be a spin intercrossing between the singlet and triplet potential energy surfaces on going from the active intermediate [MnO2(OBF3)2]- to the O...O coupling transition state.
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