A DFT study on direct hydrogenation of amide catalyzed by a PNN Ru(II) pincer complex

2015 ◽  
Vol 1066 ◽  
pp. 1-6 ◽  
Author(s):  
Honghong Zhang
Keyword(s):  
Dft Study ◽  
Pincer Complex ◽  
Direct Hydrogenation

Ni pincer complex catalytic hydroboration of CO2: a DFT study on the influence of borane reductants on the selective reduction

2021 ◽  
Author(s):  
Nana Ma ◽  
Qingli Xu ◽  
Chenhao Tu ◽  
Wenyue Guo ◽  
Guisheng Zhang
Keyword(s):  
Co2 Reduction ◽  
Selective Reduction ◽  
Dft Study ◽  
Pincer Complex

It has been reported that either the boryl formate (HCOOBR2), bis(boryl)acetal (R2BOCH2OBR2), or methoxy borane (R2BOCH3) product of CO2 reduction is selectively afforded adopting the Nickel (Ni) pincer catalyst by...

A DFT study of Co(i) and Ni(ii) pincer complex-catalyzed hydrogenation of ketones: intriguing mechanism dichotomy by ligand field variation

2019 ◽  
Vol 9 (1) ◽  
pp. 125-135 ◽  
Author(s):  
Cheng Hou ◽  
Yinwu Li ◽  
Cunyuan Zhao ◽  
Zhuofeng Ke
Keyword(s):  
Dft Study ◽  
Ligand Field ◽  
Field Variation ◽  
Pincer Complex

Ligand field variation governs the mechanism dichotomy for isoelectronic catalysts.

A DFT study on the mechanisms of hydrogenation and hydrosilylation of nitrous oxide catalyzed by a ruthenium PNP pincer complex

2018 ◽  
Vol 1128 ◽  
pp. 48-55 ◽  
Author(s):  
Lanying Yao ◽  
Yang Li ◽  
Lvtao Huang ◽  
Kai Guo ◽  
Gerui Ren ◽  
...  
Keyword(s):  
Nitrous Oxide ◽  
Dft Study ◽  
Pincer Complex

Ruthenium(II)-PNN pincer complex catalyzed dehydrogenation of benzyl alcohol to ester: A DFT study

2016 ◽  
Vol 1110 ◽  
pp. 24-31 ◽  
Author(s):  
Jingcong Tao ◽  
Li Wen ◽  
Xiaobo Lv ◽  
Yong Qi ◽  
Hailiang Yin
Keyword(s):  
Benzyl Alcohol ◽  
Dft Study ◽  
Pincer Complex

DFT study of the effect of hidrocarbonated chains on the electronic properties of some oligothiophene derivatives

2009 ◽  
Author(s):  
Manuel Fernández-Gómez ◽  
Amparo Navarro ◽  
MªPaz Fernández-Liencres ◽  
Mónica Moral ◽  
José Manuel Granadino-Roldán ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Dft Study
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