The synthesis, spectroscopic characterization, DFT/TD-DFT/PCM calculations of the molecular structure and NBO of the novel charge-transfer complexes of pyrazine Schiff base derivatives with aromatic nitro compounds
Yousry M. Issa, Samir A. Abdel‐Latif, Aida L. El‐Ansary, H.B. Hassib
Abstract
Novel charge-transfer complexes of pyrazine Schiff bases derived from 2-aminopyrazine with benzaldehyde and <italic>N</italic>-4-dimethylaminobenzaldehyde with some aromatic nitro compounds have been synthesized and characterizes experimentally and confirmed theoretically.
Topics & Concepts
ChemistryPyrazineNatural bond orbitalNitroSchiff baseCharacterization (materials science)Charge (physics)Base (topology)Computational chemistryDensity functional theoryCrystallographyStereochemistryNanotechnologyOrganic chemistryAlkylMaterials scienceMathematical analysisQuantum mechanicsPhysicsMathematicsNonlinear Optical Materials ResearchSynthesis and Characterization of Heterocyclic CompoundsSynthesis and biological activity