title: Oxygen evolution from BF3/MnO4-.
abstract: MnO(4)(-) is activated by BF(3) to undergo intramolecular coupling of two oxo ligands to generate O(2). DFT calculations suggest that there should be a spin intercrossing between the singlet and triplet potential energy surfaces on going from the active intermediate [MnO(2)(OBF(3))(2)](-) to the O···O coupling transition state.
authors.affiliation: Institute of Molecular Functional Materials and Department of Biology and Chemistry, City University of Hong Kong, Tat Che Avenue, Hong Kong, China.
authors.forename: Shek-Man
authors.initials: SM
authors.lastname: Yiu
authors.forename: Wai-Lun
authors.initials: WL
authors.lastname: Man
authors.forename: Xin
authors.initials: X
authors.lastname: Wang
authors.forename: William W Y
authors.initials: WW
authors.lastname: Lam
authors.forename: Siu-Mui
authors.initials: SM
authors.lastname: Ng
authors.forename: Hoi-Ki
authors.initials: HK
authors.lastname: Kwong
authors.forename: Kai-Chung
authors.initials: KC
authors.lastname: Lau
authors.forename: Tai-Chu
authors.initials: TC
authors.lastname: Lau
mesh_terms: D000097:Acetonitriles / Q000737:chemistry; D001881:Borates / Q000737:chemistry*; D007700:Kinetics; D017895:Manganese Compounds / Q000737:chemistry*; D010084:Oxidation-Reduction; D010087:Oxides / Q000737:chemistry*; D010100:Oxygen / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D000097:Acetonitriles; D001881:Borates; D017895:Manganese Compounds; D010087:Oxides; C027424:manganese oxide; C098759:fluoroboric acid; D010100:Oxygen