Palladium Nitrosyl Carboxylate Complexes as Catalysts for C−H/C−H Oxidative Coupling of Arenes: An Experimental and DFT Study

2020 ◽  
Vol 5 (3) ◽  
pp. 1080-1087 ◽  
Author(s):  
Oleg Shishilov ◽  
Ravshan Shamsiev ◽  
Nailya Akhmadullina ◽  
Vitaly Flid
Keyword(s):  
Oxidative Coupling ◽  
Dft Study ◽  
Carboxylate Complexes

A DFT study of ruthenium pincer carboxylate complexes as potential catalysts for the direct carboxylation of arenes with CO2 – meridional versus facial coordination

2014 ◽  
Vol 43 (29) ◽  
pp. 11180-11189 ◽  
Author(s):  
S. D. Stoychev ◽  
C. M. Conifer ◽  
A. Uhe ◽  
M. Hölscher ◽  
Walter Leitner
Keyword(s):  
Catalytic Activity ◽  
Dft Study ◽  
Carboxylate Complexes

The potential catalytic activity of ruthenium pincer benzoate complexes as [Ru(PNP)(PhCOO)2] I depends crucially on the fac/mer-isomerism of such complexes.

DFT study on CO oxidative coupling to DMO over Pd4/TiO2 and Pd4/TiO2-Ov: A role of oxygen vacancy on support

2019 ◽  
Vol 159 ◽  
pp. 1-11 ◽  
Author(s):  
Yueting Cao ◽  
Lixia Ling ◽  
Hao Lin ◽  
Maohong Fan ◽  
Ping Liu ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Oxidative Coupling ◽  
Dft Study

A DFT Study on the Catalytic CO Oxidative Coupling to Dimethyl Oxalate on Al-Doped Core–Shell Pd Clusters

2018 ◽  
Vol 122 (2) ◽  
pp. 1169-1179 ◽  
Author(s):  
Xue Feng ◽  
Lixia Ling ◽  
Yueting Cao ◽  
Riguang Zhang ◽  
Maohong Fan ◽  
...  
Keyword(s):  
Oxidative Coupling ◽  
Dft Study ◽  
Core Shell ◽  
Dimethyl Oxalate ◽  
Pd Clusters

Quantum chemical DFT study of two types of stable structures of Ni(II) high-spin binuclear carboxylate complexes

2012 ◽  
Vol 82 (9) ◽  
pp. 1476-1480 ◽  
Author(s):  
N. S. Panina ◽  
A. V. Eremin ◽  
L. S. Gerasimova ◽  
A. A. Nikiforov ◽  
A. N. Belyaev
Keyword(s):  
High Spin ◽  
Quantum Chemical ◽  
Dft Study ◽  
Carboxylate Complexes ◽  
Stable Structures
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