Theoretical Investigation on Hydrogenation of Dinitrogen Triggered by Singly Dispersed Bimetallic Sites

2021 ◽  
Author(s):  
Xue-Lu Ma ◽  
Yue Yang ◽  
Le-Min Xu ◽  
Hai Xiao ◽  
Wen-Zhi Yao ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Bond Activation ◽  
Chemical Processes ◽  
Important Chemical

The conversion of molecular dinitrogen into ammonia is one of the most important chemical processes, which involves the inert N≡N bond activation and multi-step hydrogenation. For the requirements of complicated...

Theoretical investigation of the reactivity in the C–F bond activation of CH3F by Lu+ in the gas phase

2006 ◽  
Vol 431 (4-6) ◽  
pp. 223-226 ◽  
Author(s):  
Ze-Yu Liu ◽  
Yong-Cheng Wang ◽  
Zhi-Yuan Geng ◽  
Xiao-Yan Yang ◽  
Han-Qing Wang
Keyword(s):  
Gas Phase ◽  
Theoretical Investigation ◽  
Bond Activation

New opportunities for efficient N2 fixation by nanosheet photocatalysts

Nanoscale ◽  
2018 ◽  
Vol 10 (33) ◽  
pp. 15429-15435 ◽  
Author(s):  
Hao Li ◽  
Chengliang Mao ◽  
Huan Shang ◽  
Zhiping Yang ◽  
Zhihui Ai ◽  
...  
Keyword(s):  
N2 Fixation ◽  
Ammonia Synthesis ◽  
Chemical Processes ◽  
Holy Grail ◽  
Mild Conditions ◽  
Important Chemical ◽  
Catalytic Ammonia Synthesis

Catalytic ammonia synthesis from dinitrogen (N2) under mild conditions has been considered to be the “holy grail” of N2 fixation, which is one of the most important chemical processes in the agriculture, biological and industrial fields.

Preparation of a Borane-Appended Co(III) Hydride: Evidence for Metal-Ligand Cooperativity in O—H Bond Activation

2021 ◽  
Author(s):  
Joseph A Zurakowski ◽  
Brady Austen ◽  
Maeve C Dufour ◽  
Moulika Bhattacharyya ◽  
Denis M Spasyuk ◽  
...  
Keyword(s):  
Hydrogen Atom ◽  
Bond Activation ◽  
Chemical Transformations ◽  
Important Chemical ◽  
Metal Ligand

Cobalt hydrides are known to mediate a number of important chemical transformations including proton (H+), hydride (H—), and hydrogen-atom (Hdot) transfer. Central to the tunability of such frameworks is judicious...

Theoretical Investigation of CH-Bond Activation by photocatalytic excited SO2 and Effects of (C-, N-, S-, Se-) doped TiO2

2021 ◽  
Author(s):  
Luca Gerhards ◽  
Thorsten Klüner
Keyword(s):  
Theoretical Investigation ◽  
Lower Energy ◽  
Bond Activation ◽  
Sulfonic Acids ◽  
Doped Tio2 ◽  
Ch Bond Activation

The photocatalytic sulfoxidation on TiO2 found by Parrino et al. represents a new interesting and lower energy route for the synthesis of sulfonic acids. Sulfonic acids are an important precursor...

Theoretical Investigation on Denitrification Mechanism of Piperidine: Effects of Methylation Versus Protonation on C–N Bond Activation

2019 ◽  
Vol 150 (3) ◽  
pp. 631-639
Author(s):  
Houyu Zhu ◽  
Guixia Li ◽  
Yongqing Gong ◽  
Xin Li ◽  
Xuefei Ding ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Bond Activation

Theoretical investigation of the reactivity in the C–F bond activation of CH3F by La+ in the gas phase

2006 ◽  
Vol 765 (1-3) ◽  
pp. 27-34 ◽  
Author(s):  
Yong-Cheng Wang ◽  
Ze-Yu Liu ◽  
Zhi-Yuan Geng ◽  
Xiao-Yan Yang ◽  
Li-Guo Gao ◽  
...  
Keyword(s):  
Gas Phase ◽  
Theoretical Investigation ◽  
Bond Activation

scholarly journals Encapsulation of C–N-decorated metal sub-nanoclusters/single atoms into a metal–organic framework for highly efficient catalysis

2018 ◽  
Vol 9 (48) ◽  
pp. 8962-8968 ◽  
Author(s):  
Xuan Qiu ◽  
Jianmin Chen ◽  
Xinwei Zou ◽  
Ruiqi Fang ◽  
Liyu Chen ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Catalytic Performance ◽  
Chemical Processes ◽  
Single Atoms ◽  
Highly Efficient ◽  
Important Chemical ◽  
Metal Organic ◽  
Excellent Catalytic Performance ◽  
Organic Framework

A facile strategy was designed for the encapsulation of C–N-decorated Pd sub-nanoclusters/single atoms into MOF pores by the confined thermolysis of metal–organic polyhedra (MOPs). The obtained hybrids exhibited excellent catalytic performance in various important chemical processes.

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