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

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.

Ethylene Epoxidation with Nitrous Oxide over Fe-BTC Metal-Organic Frameworks: A DFT Study

ChemPhysChem ◽  
2016 ◽  
Vol 17 (21) ◽  
pp. 3416-3422 ◽  
Author(s):  
Thana Maihom ◽  
Saowapak Choomwattana ◽  
Sippakorn Wannakao ◽  
Michael Probst ◽  
Jumras Limtrakul
Keyword(s):  
Nitrous Oxide ◽  
Metal Organic Frameworks ◽  
Dft Study ◽  
Ethylene Epoxidation ◽  
Metal Organic

Mechanism of Carbon Monoxide Induced N–N Bond Cleavage of Nitrous Oxide Mediated by Molybdenum Complexes: A DFT Study

2014 ◽  
Vol 33 (7) ◽  
pp. 1553-1562 ◽  
Author(s):  
Hujun Xie ◽  
Liu Yang ◽  
Xinchen Ye ◽  
Zexing Cao
Keyword(s):  
Carbon Monoxide ◽  
Nitrous Oxide ◽  
Bond Cleavage ◽  
Dft Study ◽  
Molybdenum Complexes

Comprehensive DFT Study of Nitrous Oxide Decomposition over Fe-ZSM-5†

2005 ◽  
Vol 109 (5) ◽  
pp. 1857-1873 ◽  
Author(s):  
Andreas Heyden ◽  
Baron Peters ◽  
Alexis T. Bell ◽  
Frerich J. Keil
Keyword(s):  
Nitrous Oxide ◽  
Dft Study ◽  
Nitrous Oxide Decomposition ◽  
Oxide Decomposition

A DFT study on the N2O reduction by CO molecule over silicon carbide nanotubes and nanosheets

RSC Advances ◽  
2016 ◽  
Vol 6 (64) ◽  
pp. 59091-59099 ◽  
Author(s):  
Parisa Nematollahi ◽  
Mehdi D. Esrafili
Keyword(s):  
Density Functional Theory ◽  
Silicon Carbide ◽  
Nitrous Oxide ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Dft Study ◽  
N2o Reduction ◽  
Functional Theory ◽  
Silicon Carbide Nanotubes

In this work, we study the nitrous oxide (N2O) reduction by CO over zigzag (6,0) silicon carbide nanotubes (SiCNT) and nanosheets (SiCNS) by means of density functional theory calculations.

Sign in / Sign up

Export Citation Format

Share Document