scholarly journals C–H bond activation in light alkanes: a theoretical perspective

2021 ◽  
Vol 50 (7) ◽  
pp. 4299-4358
Author(s):  
Yalan Wang ◽  
Ping Hu ◽  
Jia Yang ◽  
Yi-An Zhu ◽  
De Chen
Keyword(s):  
Recent Progress ◽  
Bond Activation ◽  
Theoretical Perspective ◽  
Light Alkanes ◽  
Computational Catalysis

This review describes the recent progress in computational catalysis that has addressed the C–H bond activation of light alkanes.

Dehydrogenation of light alkanes to mono-olefins

2021 ◽  
Vol 50 (7) ◽  
pp. 4359-4381
Author(s):  
Chunyi Li ◽  
Guowei Wang
Keyword(s):  
Recent Progress ◽  
Light Alkanes ◽  
Alkane Dehydrogenation ◽  
Light Alkane ◽  
New Directions

This review summarizes recent progress in the catalysts and reactors for light alkane dehydrogenation, providing new directions for dehydrogenation technologies.

Tuning magnetism at the two-dimensional limit: A theoretical perspective

Nanoscale ◽  
2021 ◽  
Author(s):  
Dongzhe Li ◽  
Shuo Li ◽  
Chengyong Zhong ◽  
Junjie He
Keyword(s):  
Magnetic Properties ◽  
Magnetic Materials ◽  
Recent Progress ◽  
Theoretical Perspective ◽  
Two Dimensional

The discovery of two-dimensional (2D) magnetic materials provides an ideal testbed for manipulating the magnetic properties at the atomically thin and the 2D limit. This review gives recent progress on...

Recent Advances in Metal-Catalyzed Heterocyclic C-P Bond Formation

2020 ◽  
Vol 17 ◽  
Author(s):  
Feng Xu ◽  
Yu Hui
Keyword(s):  
Organic Synthesis ◽  
Recent Progress ◽  
Bond Activation ◽  
Low Cost ◽  
Bond Formation ◽  
Phosphorus Compounds ◽  
Catalytic Systems ◽  
Phosphorus Containing ◽  
Synthetic Pesticides ◽  
Metal Catalyzed

Abstract:: The Phosphorus-containing heterocycles are an important class of compounds in organic chemistry. Because of their potential application in many fields, especially the synthetic pesticides, medicine and catalyst, the Phosphorus-containing heterocycles have attracted continuous attention by organic synthesis scientists. The development of efficient and low-cost catalytic systems is great interest for construction heterocycles C–P bond. Usually, the Phosphorus-containing heterocycles is prepared via direct carbon–hydrogen (C–H) bond activation or pre-functionalized of heterocycles with carbon–hydrogen （ P-H） bond of phosphorus compounds reaction by metal-catalyzed. This review summarizes recent progress in the heterocycles C-P bond formation reactions by metal-catalyzed, which mainly focusing on the discussion of the reaction mechanism. Aims to provide efficient methods for the future synthesis and application in this field.

Progress in selective oxidative dehydrogenation of light alkanes to olefins promoted by boron nitride catalysts

2018 ◽  
Vol 54 (78) ◽  
pp. 10936-10946 ◽  
Author(s):  
Lei Shi ◽  
Yang Wang ◽  
Bing Yan ◽  
Wei Song ◽  
Dan Shao ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Oxidative Dehydrogenation ◽  
Recent Progress ◽  
Catalyst System ◽  
Light Alkanes

We highlight recent progress on a newly-developed catalyst system, boron nitride, for selective oxidative dehydrogenation of light alkanes.

Modifications of heterogeneous photocatalysts for hydrocarbon C–H bond activation and selective conversion

2020 ◽  
Vol 56 (90) ◽  
pp. 13918-13932
Author(s):  
Xing Cao ◽  
Tong Han ◽  
Qing Peng ◽  
Chen Chen ◽  
Yadong Li
Keyword(s):  
Recent Progress ◽  
Bond Activation ◽  
Feature Article ◽  
Selective Conversion

This feature article summarizes the recent progress in the modification of heterogeneous photocatalysts for photocatalytic hydrocarbons’ C–H bond activation.

Mechanistic view of Ru-catalyzed C–H bond activation and functionalization: computational advances

2018 ◽  
Vol 47 (20) ◽  
pp. 7552-7576 ◽  
Author(s):  
Chunhui Shan ◽  
Lei Zhu ◽  
Ling-Bo Qu ◽  
Ruopeng Bai ◽  
Yu Lan
Keyword(s):  
Bond Activation ◽  
Theoretical Perspective ◽  
Mechanistic Study ◽  
Bond Functionalization ◽  
Recent Advances ◽  
Mechanistic View

This review summarized recent advances in the mechanistic study of Ru-catalyzed C–H bond functionalization from a theoretical perspective.

C−H Bond Activation of Methane Promoted by (η5-Phospholyl)Rh(CO)2:  A Theoretical Perspective

2005 ◽  
Vol 24 (10) ◽  
pp. 2262-2268 ◽  
Author(s):  
Eder S. Xavier ◽  
Wagner B. De Almeida ◽  
Júlio Cosme S. da Silva ◽  
Willian R. Rocha
Keyword(s):  
Bond Activation ◽  
Theoretical Perspective

scholarly journals Structural Single Fe(II) Sites in MIL-Type Metal Or-Ganic Frameworks for Oxidation of Methane to Methanol and Ethane to Ethanol

2018 ◽  
Author(s):  
Jenny G. Vitillo ◽  
Aditya Bhan ◽  
Christopher J. Cramer ◽  
Connie C. Lu ◽  
Laura Gagliardi
Keyword(s):  
Density Functional ◽  
Bond Activation ◽  
Metal Organic Frameworks ◽  
Light Alkanes ◽  
Oxidation Of Methane ◽  
Structural Metals ◽  
Metal Organic ◽  
Oxidative Activation ◽  
Reaction Profile ◽  
Thermal And Chemical Stability

Single non-heme Fe(II) ions present as structural metals in several metal organic frameworks (e.g. MIL-100, MIL-101, MIL-808) are identified by Kohn-Sham density functional calculations as promising catalysts for C-H bond activation, with energetic barriers as low as 40 kJ mol<sup>-1</sup> for ethane and 60 kJ mol<sup>-1</sup> for methane following oxidative activation of iron. Through consideration of the full reaction profile leading to the corresponding alcohols ethanol and methanol, we have identified key changes in the chemical composition of the node that would modulate catalytic activity. The thermal and chemical stability of these MOFs together with the scalability of their syntheses make them attractive catalysts for the selective low temperature conversion of light alkanes to higher-value oxygenates.

Prospects in Adaptive Optics for Solar Applications

1994 ◽  
Vol 154 ◽  
pp. 557-566
Author(s):  
François Roddier ◽  
J. Elon Graves
Keyword(s):  
Adaptive Optics ◽  
Recent Progress ◽  
Theoretical Perspective ◽  
Adaptive Techniques ◽  
Solar Telescopes ◽  
Modern Astronomy ◽  
Infrared Techniques ◽  
Solar Applications

We review the theoretical perspective for problems in adaptive optics, outline recent progress, and consider its application in the infrared. Techniques in adaptive optics are on the threshold of revolutionizing modern astronomy. These techniques are particularly applicable in the infrared, where refractive effects of turbulence are reduced, characteristic cell sizes are greater, and the isoplanatic patch diameter is increased. Adaptive techniques could be especially appropriate for modern large solar telescopes now under consideration that could operate in the infrared.

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