Search results for "electron-donating effects"

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Substituent effects in trans-p,p'-disubstituted azobenzenes: X-ray structures at 100 K and DFT-calculated structures.

2014

The crystal and molecular structures of twopara-substituted azobenzenes with π-electron-donating –NEt2and π-electron-withdrawing –COOEt groups are reported, along with the effects of the substituents on the aromaticity of the benzene ring. The deformation of the aromatic ring around the –NEt2group inN,N,N′,N′-tetraethyl-4,4′-(diazenediyl)dianiline, C20H28N4, (I), may be caused by steric hindrance and the π-electron-donating effects of the amine group. In this structure, one of the amine N atoms demonstrates clearsp2-hybridization and the other is slightly shifted from the plane of the surrounding atoms. The molecule of the second azobenzene, diethyl 4,4′-(diazenediyl)dibenzoate, C18H18N2O4,…

Steric effectscrystal structureChemistryStereochemistry4electron-donating effectsSubstituentAromaticityCrystal structureDFT calculationsCondensed Matter PhysicsInorganic ChemistryCrystalelectron-withdrawing effectsHOMA indexCrystallographychemistry.chemical_compoundMaterials Chemistry4'-(diazenediyl)dibenzoateAmine gas treatingDensity functional theoryPhysical and Theoretical Chemistryazo­benzenesBenzene4'-(diazene­diyl)dianilineActa crystallographica. Section C, Structural chemistry
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