| Literature DB >> 21359340 |
Shek-Man Yiu1, Wai-Lun Man, Xin Wang, William W Y Lam, Siu-Mui Ng, Hoi-Ki Kwong, Kai-Chung Lau, Tai-Chu Lau.
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.Entities:
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Year: 2011 PMID： 21359340 DOI： 10.1039/c1cc00019e
Source DB: PubMed Journal: Chem Commun (Camb) ISSN： 1359-7345 Impact factor: 6.222