Crystal growth and physical properties of the organic salt benzimidazolium 3-nitrophthalate

摘要: From the point of view crystal growth and design, it is interesting to study effect different isomers on resulting structure. Single crystals organic salt benzimidazolium 3-nitrophthalate (BZD+·mNPA−) have been grown by slow evaporation from methanol solution. X-ray diffraction demonstrated that structure belongs monoclinic system with space group P21/c. The properties functional groups studied FTIR spectroscopy, FT-Raman spectral analysis 1H 13C NMR spectroscopy. emission spectra BZD+·mNPA− were recorded in solvents; they exhibit a negative solvatochromatic when polarity solvent increased. thermal stability, dielectric constant loss investigated HOMO LUMO energy levels calculated using density theory (DFT). has compared 2-nitroterephthalate (BZD+·NTPh−). interactions or salts are very similar; however, positions carboxyl benzene rings changes layout structure, which leads undulating sheets for flat antiparallel 2-nitrotherephthalate. decomposes at around 180 °C.