Cd(II) and Ni(II) complexes from aroyl hydrazones: Unravelling the intermolecular interactions and electronic, crystal structures through experimental and theoretical studies

摘要

Graphical abstractCoordination versatility and structural/electronic properties of three novel Cd(II), Ni(II) complexes from aroyl hydrazones are discussed using experimental and theoretical calculations.Display OmittedHighlights?Three novel Cd(II), Ni(II) complexes from aroyl hydrazones are discussed.?Structural/electronic properties are probed using experimental & theoretical studies.?Hirshfeld, 2D finger print and ESP plots analyses are done.?One of the complex exhibits unusually high dipole moment.?Comparison of frontier orbitals and AIM charge analysis is done by DFT calculations.