A relativistic DFT probe for small-molecule activation mediated by low-valent uranium metallocenes

2021 ◽  
Author(s):  
Yong-Peng Shen ◽  
Hong-Xue Cai ◽  
Fang-Yuan Chen ◽  
Yuan-Ru Guo ◽  
Qing-Jiang Pan
Keyword(s):  
Dft Calculations ◽  
Small Molecules ◽  
Small Molecule ◽  
Small Molecule Activation ◽  
Relativistic Dft ◽  
Low Valent

DFT calculations rationalize the capability of uranium metallocenes in activating small molecules, and the experimentally inaccessible CO2 adduct is addressed.

Small molecule activation by boron-containing heterocycles

2019 ◽  
Vol 48 (13) ◽  
pp. 3613-3659 ◽  
Author(s):  
Yuanting Su ◽  
Rei Kinjo
Keyword(s):  
Small Molecules ◽  
Small Molecule ◽  
Small Molecule Activation

This review focuses on boron-containing heterocycles enabling the activation of σ- and π-bonds in small molecules.

scholarly journals Low-coordinate first-row transition metal complexes in catalysis and small molecule activation

2019 ◽  
Vol 48 (33) ◽  
pp. 12365-12381 ◽  
Author(s):  
Laurence J. Taylor ◽  
Deborah L. Kays
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Small Molecules ◽  
Transition Metal Complexes ◽  
Small Molecule ◽  
High Reactivity ◽  
Small Molecule Activation ◽  
Coordination Numbers

In this Perspective, we will highlight selected examples of transition metal complexes with low coordination numbers whose high reactivity has been exploited in catalysis and the activation of small molecules featuring strong bonds (N2, CO2, and CO).

Compounds with Low-Valent p-Block Elements for Small Molecule Activation and Catalysis

ChemCatChem ◽  
2015 ◽  
Vol 8 (3) ◽  
pp. 486-501 ◽  
Author(s):  
Sandeep Yadav ◽  
Sumana Saha ◽  
Sakya S. Sen
Keyword(s):  
Small Molecule ◽  
Small Molecule Activation ◽  
Low Valent

ChemInform Abstract: Bond and Small-Molecule Activation with Low-Valent Nickel Complexes

ChemInform ◽  
2015 ◽  
Vol 46 (39) ◽  
pp. no-no
Author(s):  
Jorge A. Garduno ◽  
Alma Arevalo ◽  
Juventino J. Garcia
Keyword(s):  
Small Molecule ◽  
Nickel Complexes ◽  
Small Molecule Activation ◽  
Low Valent

Theoretical treatment of one electron redox transformation of a small molecule using f-element complexes

2014 ◽  
Vol 43 (32) ◽  
pp. 12124-12134 ◽  
Author(s):  
Ludovic Castro ◽  
Christos E. Kefalidis ◽  
David McKay ◽  
Stéphanie Essafi ◽  
Lionel Perrin ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Dft Calculations ◽  
Small Molecule ◽  
Single Electron ◽  
Theoretical Treatment ◽  
Single Electron Transfer ◽  
Redox Transformation ◽  
Low Valent

DFT calculations can provide useful insights into low-valent f-element single electron transfer reactivity.

Bond and small-molecule activation with low-valent nickel complexes

2015 ◽  
Vol 44 (30) ◽  
pp. 13419-13438 ◽  
Author(s):  
Jorge A. Garduño ◽  
Alma Arévalo ◽  
Juventino J. García
Keyword(s):  
Small Molecule ◽  
Nickel Complexes ◽  
Environmental Issues ◽  
Oxidation States ◽  
Small Molecule Activation ◽  
Nickel Compounds ◽  
Low Valent

The use of nickel compounds in low oxidation states allowed a variety of useful transformations of interest for academia, industry and in the solution of environmental issues.

scholarly journals Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation

RSC Advances ◽  
2018 ◽  
Vol 8 (46) ◽  
pp. 26271-26276 ◽  
Author(s):  
Yiheng Wang ◽  
Zhen Hua Li ◽  
Huadong Wang
Keyword(s):  
Small Molecules ◽  
Small Molecule ◽  
Small Molecule Activation ◽  
Frustrated Lewis Pair

An oxygen-linked germinal frustrated Lewis pair was synthesized and its reactivities against a series of small molecules were investigated.

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