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...

Electrochemical CO2 reduction on graphdiyne: a DFT Study

2021 ◽  
Author(s):  
Tianfu Liu ◽  
Qi Wang ◽  
Guoxiong Wang ◽  
Xinhe Bao
Keyword(s):  
Co2 Reduction ◽  
Dft Study ◽  
Physiochemical Properties ◽  
Electrochemical Co2 Reduction

Graphdiyne, a new member of the 2D carbon family, has exhibited interesting physiochemical properties for academic attention. Its π-conjugated structure with unique sp-sp2 bonding shows great potential for electrocatalysis. As...

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.

CO2 reduction by a Mn electrocatalyst in the presence of a Lewis acid: a DFT study on the reaction mechanism

2019 ◽  
Vol 3 (7) ◽  
pp. 1730-1738
Author(s):  
Miho Isegawa ◽  
Akhilesh K. Sharma
Keyword(s):  
Reaction Mechanism ◽  
Lewis Acid ◽  
Co2 Reduction ◽  
Dft Study

The addition of a Lewis acid (Mg2+) has been shown to improve the efficiency of CO2 reduction by homogeneous electrocatalysts.

Surprisingly big linker-dependence of activity and selectivity in CO2 reduction by an iridium(i) pincer complex

2020 ◽  
Vol 56 (64) ◽  
pp. 9126-9129 ◽  
Author(s):  
Gongfang Hu ◽  
Jianbing “Jimmy” Jiang ◽  
H. Ray Kelly ◽  
Adam J. Matula ◽  
Yueshen Wu ◽  
...  
Keyword(s):  
Co2 Reduction ◽  
Pincer Complex

Here, we report the quantitative electroreduction of CO2 to CO by a PNP-pincer iridium(i) complex bearing amino linkers in DMF/water. The activity and selectivity of the reduction greatly depend on the choice of linker within the ligand.

Confined cavity on a mass-producible wrinkle film promotes selective CO2 reduction

2020 ◽  
Vol 8 (29) ◽  
pp. 14592-14599
Author(s):  
Kyeong Min Cho ◽  
Woo-Bin Jung ◽  
Donggyu Kim ◽  
Ju Ye Kim ◽  
Yesol Kim ◽  
...  
Keyword(s):  
Carbon Monoxide ◽  
Co2 Reduction ◽  
Selective Reduction ◽  
Made In

Selective reduction of CO2 to carbon monoxide is achieved by Au wrinkle film which can be made in simple and mass-producible process.

Ambiguous electrocatalytic CO2 reduction behaviour of a nickel bis(aldimino)pyridine pincer complex

2016 ◽  
Vol 45 (39) ◽  
pp. 15285-15289 ◽  
Author(s):  
Remya Narayanan ◽  
Meaghan McKinnon ◽  
Blake R. Reed ◽  
Ken T. Ngo ◽  
Stanislav Groysman ◽  
...  
Keyword(s):  
Electrochemical Properties ◽  
Co2 Reduction ◽  
Pincer Complexes ◽  
Pincer Complex ◽  
Reduction Behaviour

The electrochemical properties of two Ni(NNN)X2 pincer complexes are reported where X = Cl or Br and NNN is N,N′-(2,6-diisopropylphenyl)bis-aldiminopyridine.

DFT Study on Sulfur-Doped g-C3N4 Nanosheets as a Photocatalyst for CO2 Reduction Reaction

2018 ◽  
Vol 122 (14) ◽  
pp. 7712-7719 ◽  
Author(s):  
Yuelin Wang ◽  
Yu Tian ◽  
Likai Yan ◽  
Zhongmin Su
Keyword(s):  
Co2 Reduction ◽  
Reduction Reaction ◽  
Dft Study ◽  
Co2 Reduction Reaction
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