DFT Study of an Inner-Sphere Mechanism in the Hydrogen Transfer from a Hydroxycyclopentadienyl Ruthenium Hydride to Imines

2007 ◽  
Vol 26 (11) ◽  
pp. 2840-2848 ◽  
Author(s):  
Timofei Privalov ◽  
Joseph S. M. Samec ◽  
Jan-E. Bäckvall
Keyword(s):  
Hydrogen Transfer ◽  
Dft Study ◽  
Ruthenium Hydride ◽  
Inner Sphere ◽  
Hydroxycyclopentadienyl Ruthenium Hydride ◽  
Sphere Mechanism

scholarly journals Theoretical mechanistic investigation of zinc(ii) catalyzed oxidation of alcohols to aldehydes and esters

RSC Advances ◽  
2016 ◽  
Vol 6 (38) ◽  
pp. 31876-31883 ◽  
Author(s):  
Riffat Un Nisa ◽  
Tariq Mahmood ◽  
Ralf Ludwig ◽  
Khurshid Ayub
Keyword(s):  
Dft Study ◽  
Mechanistic Investigation ◽  
Oxidation Of Alcohols ◽  
Benzylic Alcohol ◽  
Inner Sphere ◽  
Catalyzed Oxidation ◽  
Sphere Mechanism

Theoretical mechanistic (DFT) study of the Zn(ii) catalyzed oxidation of benzylic alcohol to aldehyde and esters with H2O2 oxidant is supportive to intermediate sphere mechanism over inner sphere mechanism.

scholarly journals RuIII(edta) complexes as molecular redox catalysts in chemical and electrochemical reduction of dioxygen and hydrogen peroxide: inner-sphere versus outer-sphere mechanism

RSC Advances ◽  
2021 ◽  
Vol 11 (35) ◽  
pp. 21359-21366
Author(s):  
Debabrata Chatterjee ◽  
Marta Chrzanowska ◽  
Anna Katafias ◽  
Maria Oszajca ◽  
Rudi van Eldik
Keyword(s):  
Hydrogen Peroxide ◽  
Electron Transfer ◽  
Electrochemical Reduction ◽  
Molecular Oxygen ◽  
Outer Sphere ◽  
Transfer Processes ◽  
Edta Complexes ◽  
Inner Sphere ◽  
Electron Transfer Processes ◽  
Sphere Mechanism

[RuII(edta)(L)]2–, where edta4– =ethylenediaminetetraacetate; L = pyrazine (pz) and H2O, can reduce molecular oxygen sequentially to hydrogen peroxide and further to water by involving both outer-sphere and inner-sphere electron transfer processes.

Further evidence supporting an inner sphere mechanism in the NO reduction of the copper(II) complex Cu(dmp)22+ (dmp=2,9-dimethyl-1,10-phenanthroline)

Nitric Oxide ◽  
2005 ◽  
Vol 12 (4) ◽  
pp. 244-251 ◽  
Author(s):  
Mark D. Lim ◽  
Kenneth B. Capps ◽  
Timothy B. Karpishin ◽  
Peter C. Ford
Keyword(s):  
No Reduction ◽  
Inner Sphere ◽  
Sphere Mechanism
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