A computational and conceptual DFT study on the mechanism of hydrogen activation by novel frustrated Lewis pairs

2015 ◽  
Vol 17 (16) ◽  
pp. 10715-10725 ◽  
Author(s):  
Patricia Pérez ◽  
Diana Yepes ◽  
Pablo Jaque ◽  
Eduardo Chamorro ◽  
Luis R. Domingo ◽  
...  
Keyword(s):  
Molecular Hydrogen ◽  
Conceptual Dft ◽  
Dft Study ◽  
Frustrated Lewis Pairs ◽  
Hydrogen Activation ◽  
Lewis Pairs

The activation of molecular hydrogen, H2, by three models of FLPs.

Hydrogenation of Olefins, Alkynes, Allenes, and Arenes by Borane-based Frustrated Lewis Pairs

Synthesis ◽  
2021 ◽  
Author(s):  
Felix Wech ◽  
Urs Gellrich
Keyword(s):  
Transition Metal ◽  
Hydride Transfer ◽  
Lewis Base ◽  
Catalytic Reactions ◽  
Transfer Reactions ◽  
Organic Substrates ◽  
Frustrated Lewis Pairs ◽  
Hydrogen Activation ◽  
Hydrogenation Catalysts ◽  
Lewis Pairs

In recent years, borane-based frustrated Lewis pairs proved to be efficient hydrogenation catalysts and became an alternative to transition metal-based systems. The hydrogen activation by classic FLPs leads to a protonated Lewis base and a borohydride. Consequently, hydrogenations catalyzed by classic FLPs consist of stepwise hydride transfer reactions and protonations (or vice versa). More recently, systems that operate via an initial hydroboration have allowed extending the substrate scope for FLP catalyzed hydrogenations. Within this review, hydrogenations of organic substrates catalyzed by borane-based frustrated Lewis pairs are discussed. Emphasis is given to the mechanistic aspects of these catalytic reactions.

A DFT study of hydrogen and methane activation by B(C6F5)3/P(t-Bu)3 and Al(C6F5)3/P(t-Bu)3 frustrated Lewis pairs

2017 ◽  
Vol 23 (8) ◽  
Author(s):  
Nery Villegas-Escobar ◽  
Alejandro Toro-Labbé ◽  
Marcos Becerra ◽  
Misael Real-Enriquez ◽  
Jose R. Mora ◽  
...  
Keyword(s):  
Methane Activation ◽  
Dft Study ◽  
Frustrated Lewis Pairs ◽  
Lewis Pairs

On the Mechanism of Hydrogen Activation by Frustrated Lewis Pairs

2013 ◽  
Vol 19 (51) ◽  
pp. 17413-17424 ◽  
Author(s):  
Lei Liu Zeonjuk ◽  
Nina Vankova ◽  
Andreas Mavrandonakis ◽  
Thomas Heine ◽  
Gerd‐Volker Röschenthaler ◽  
...  
Keyword(s):  
Frustrated Lewis Pairs ◽  
Hydrogen Activation ◽  
Lewis Pairs

Reactivity Models of Hydrogen Activation by Frustrated Lewis Pairs: Synergistic Electron Transfers or Polarization by Electric Field?

2013 ◽  
Vol 135 (11) ◽  
pp. 4425-4437 ◽  
Author(s):  
Tibor András Rokob ◽  
Imre Bakó ◽  
András Stirling ◽  
Andrea Hamza ◽  
Imre Pápai
Keyword(s):  
Electric Field ◽  
Frustrated Lewis Pairs ◽  
Hydrogen Activation ◽  
Electron Transfers ◽  
Lewis Pairs
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