research papers
The crystal and molecular structures of two para-substituted azobenzenes with -electron-donating -NEt2 and -electron-withdrawing -COOEt groups are reported, along with the effects of the substituents on the aromaticity of the benzene ring. Density functional theory (DFT) calculations were performed to analyse the differences in the geometry and aromaticity of the studied compounds in the crystalline state and for the isolated molecules.
research papers
The crystal and molecular structures of substituted carbazoles with π-electron-withdrawing –NO2 groups are reported, and the effects of these substituents on the aromaticity of the arene and pyrrole rings are assessed by means of HOMA indices. Density functional theory (DFT) calculations were performed to analyse the differences in the geometries of the studied compounds between the crystalline state and isolated molecules.