Oxidation of phenyl and hydride ligands of bis(pentamethylcyclopentadienyl)hafnium derivatives by nitrous oxide via selective oxygen atom transfer reactions: insights from quantum chemistry calculations

2016 ◽  
Vol 45 (3) ◽  
pp. 1152-1159 ◽  
Author(s):  
Hujun Xie ◽  
Chengcheng Liu ◽  
Ying Yuan ◽  
Tao Zhou ◽  
Ting Fan ◽  
...  
Keyword(s):  
Transfer Reactions ◽  
Frontier Molecular Orbital ◽  
Nucleophilic Attack ◽  
Orbital Theory ◽  
Oxygen Atom Transfer ◽  
Theory Analysis ◽  
Quantum Chemistry Calculations ◽  
Hydride Ligand ◽  
Oxygen Atom Transfer Reactions ◽  
Hydride Ligands

Frontier molecular orbital theory analysis indicates that N2O is activated by nucleophilic attack by the phenyl or hydride ligand.

Nonclassical oxygen atom transfer reactions of an eight-coordinate dioxomolybdenum(vi) complex

2021 ◽  
Author(s):  
Leila G. Ranis ◽  
Jacqueline Gianino ◽  
Justin M. Hoffman ◽  
Seth N. Brown
Keyword(s):  
Oxygen Atom ◽  
Transfer Reaction ◽  
Transfer Reactions ◽  
Atom Transfer ◽  
Oxygen Atom Transfer ◽  
Oxygen Atom Transfer Reactions ◽  
Atom Transfer Reactions ◽  
Oxygen Atoms

Eight-coordinate MoO2(DOPOQ)2 can donate two oxygen atoms to substrates such as phosphines in a four-electron nonclassical oxygen atom transfer reaction.

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