A new mononuclear Zn(II) complex involving a Schiff base-type instead of an anticipated quinazoline complex has been synthesized and characterized structurally by spectroscopic methods. The crystal structure of the complex has been determined by single-crystal XRD. Each complex links two other molecules into an infinite 1-D chain through intermolecular hydrogen bonds. Moreover, the calculated HOMO and LUMO energies show the character of the ligand HL 1 and the Zn(II) complex. The TDDFT calculations were done on the optimised geometries to understand the electronic structure and spectral transition in the ligand and the Zn(II) complex.(Figure not available: see fulltext.)
Research on Chemical Intermediates – Springer Journals
Published: Aug 21, 2015
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