Synthesis, crystal structure, vibrational spectral investigation, intermolecular interactions, chemical reactivity, NLO properties and molecular docking analysis on (E)-N-(4-nitrobenzylidene)-3-chlorobenzenamine: A combined experimental and theoretical study
Ahlam Roufieda Guerroudj, Nourdine Boukabcha, Abdelmadjid Benmohammed, Necmi Dege, Nour El Houda Belkafouf, Nawel Khelloul, Ayada Djafri, Abdelkader Chouaıh
Topics & Concepts
ChemistryDensity functional theoryHOMO/LUMOIntermolecular forceChemical shiftComputational chemistryMoleculeMolecular geometryMolecular orbitalCarbon-13 NMRPhysical chemistryStereochemistryOrganic chemistryNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds