The role of primary-secondary orbital interactions in affecting regioselectivities. Cycloaddition reactions between 1,3-dipoles and electron-deficient alkynes

1978 ◽  
Vol 100 (18) ◽  
pp. 5701-5705 ◽  
Author(s):  
Michael D. Gordon ◽  
Peter V. Alston ◽  
Angelo R. Rossi
Keyword(s):  
Cycloaddition Reactions ◽  
Orbital Interactions

The localized electron: magnetic properties

2018 ◽  
Author(s):  
Jean-Pierre Launay ◽  
Michel Verdaguer
Keyword(s):  
Single Molecule ◽  
Model Systems ◽  
Ferromagnetic Coupling ◽  
Single Chain ◽  
Single Molecule Magnets ◽  
Magnetic Systems ◽  
Orbital Interactions ◽  
Prussian Blue Analogues ◽  
Mononuclear Complexes

After preliminaries about electron properties, and definitions in magnetism, one treats the magnetism of mononuclear complexes, in particular spin cross-over, showing the role of cooperativity and the sensitivity to external perturbations. Orbital interactions and exchange interaction are explained in binuclear model systems, using orbital overlap and orthogonality concepts to explain antiferromagnetic or ferromagnetic coupling. The phenomenologically useful Spin Hamiltonian is defined. The concepts are then applied to extended molecular magnetic systems, leading to molecular magnetic materials of various dimensionalities exhibiting bulk ferro- or ferrimagnetism. An illustration is provided by Prussian Blue analogues. Magnetic anisotropy is introduced. It is shown that in some cases, a slow relaxation of magnetization arises and gives rise to appealing single-ion magnets, single-molecule magnets or single-chain magnets, a route to store information at the molecular level.

scholarly journals Band alignment of monolayer CaP3, CaAs3, BaAs3 and the role of p–d orbital interactions in the formation of conduction band minima

2021 ◽  
Vol 23 (12) ◽  
pp. 7418-7425
Author(s):  
Magdalena Laurien ◽  
Himanshu Saini ◽  
Oleg Rubel
Keyword(s):  
Electronic Structure ◽  
Conduction Band ◽  
Electron Affinity ◽  
Band Alignment ◽  
Orbital Interactions

We calculate the band alignment of the newly predicted phosphorene-like puckered monolayers with G0W0 according to the electron affinity rule and examine trends in the electronic structure. Our results give guidance for heterojunction design.

A mechanistic MEDT study of the competitive catalysed [4+2] and [2+2] cycloaddition reactions between 1-methyl-1-phenylallene and methyl acrylate: the role of Lewis acid on the mechanism and selectivity

2018 ◽  
Vol 29 (6) ◽  
pp. 1709-1721 ◽  
Author(s):  
Leila Barama ◽  
Brahim Bayoud ◽  
Fouad Chafaa ◽  
Abdelmalek Khorief Nacereddine ◽  
Abdelhafid Djerourou
Keyword(s):  
Lewis Acid ◽  
Methyl Acrylate ◽  
Cycloaddition Reactions

The role of sulfur functionalities in activating and directing olefins in cycloaddition reactions

Tetrahedron ◽  
1988 ◽  
Vol 44 (22) ◽  
pp. 6755-6794 ◽  
Author(s):  
Ottorino de Lucchi ◽  
Lucia Pasquato
Keyword(s):  
Cycloaddition Reactions
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