Lithium Cation-Catalyzed Benzene Diels–Alder Reaction: Insights on the Molecular Mechanism Within the Molecular Electron Density Theory

2020 ◽  
Vol 85 (20) ◽  
pp. 13121-13132
Author(s):  
Luis R. Domingo ◽  
Patricia Pérez
Keyword(s):  
Molecular Mechanism ◽  
Electron Density ◽  
Alder Reaction ◽  
Diels Alder ◽  
Lithium Cation ◽  
Diels Alder Reaction ◽  
Molecular Electron ◽  
Molecular Electron Density Theory

On the Catalytic Effects of the Thiazolium Salt in the Oxa-Diel-Alder Reaction between Benzaldehyde and Danishefsky’s Diene: A Molecular Electron Density Theory Study

2021 ◽  
Author(s):  
Mar Ríos-Gutiérrez ◽  
Patricia Perez ◽  
Luis R. Domingo ◽  
Jorge Soto-Delgado
Keyword(s):  
Ionic Liquid ◽  
Electron Density ◽  
Alder Reaction ◽  
Diels Alder ◽  
Molecular Electron ◽  
Molecular Electron Density Theory ◽  
Danishefsky's Diene ◽  
Catalytic Effects

The oxa-Diels-Alder (ODA) reaction of benzaldehyde with the Danishefsky diene in the presence of [thiazolium][Cl] salt, as a model of an ionic liquid, has been studied within Molecular Electron Density...

Understanding the molecular mechanism of the stereoselective conversion of N-trialkylsilyloxy nitronates into bicyclic isoxazoline derivatives

2021 ◽  
Author(s):  
Agnieszka Kącka-Zych ◽  
Radomir Jasinski
Keyword(s):  
Density Functional Theory ◽  
Molecular Mechanism ◽  
Electron Density ◽  
Density Functional ◽  
Dft Method ◽  
Functional Theory ◽  
Molecular Electron ◽  
Molecular Electron Density Theory

Conversion of N-trialkylsilyloxy nitronates into bicyclic isoxazoline derivatives has been explored using Density Functional Theory (DFT) method within the context of the Molecular Electron Density Theory (MEDT) at the B97XD(PCM)/6-311G(d,p)...

Lithium perchlorate catalysis of the hetero Diels-Alder reaction: a specific lithium cation effect.

Tetrahedron ◽  
1991 ◽  
Vol 47 (39) ◽  
pp. 8399-8406 ◽  
Author(s):  
G. Desimoni ◽  
G. Faita ◽  
P.P. Righetti ◽  
G. Tacconi
Keyword(s):  
Lithium Perchlorate ◽  
Alder Reaction ◽  
Diels Alder ◽  
Lithium Cation ◽  
Cation Effect ◽  
Diels Alder Reaction
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