New Dinuclear Macrocyclic Copper(II) Complexes as Potentially Fluorescent and Magnetic Materials.

Two dinuclear copper(II) complexes with macrocyclic Schiff bases and were prepared by the template reaction of ()-(+)-1,1'-binaphthalene-2,2'-diamine and 2-hydroxy-5-methyl-1,3-benzenedicarboxaldehyde , or 4--butyl-2,6-diformylphenol with copper(II) chloride dihydrate. The compounds were characterized by spectroscopic methods. X-ray crystal structure determination and DFT calculations confirmed their geometry in solution and in the solid phase. Moreover, intermolecular interactions in the crystal structure of were analyzed using 3D Hirshfeld surfaces and the related 2D fingerprint plots. The magnetic study revealed very strong antiferromagnetic Cu-Cu exchange interactions, which were supported by magneto-structural correlation and DFT calculations conducted within a broken symmetry (BS) framework. Complexes and exhibited luminescent properties that may be of great importance in the search for new OLEDs. Both and complexes showed emissions in the range of 392-424 nm in solutions at various polarities. Thin materials of the studied compounds were deposited on Si(111) by the spin-coating method or by thermal vapor deposition and studied by scanning electron microscopy (SEM/EDS), atomic force microscopy (AFM), and fluorescence spectroscopy. The thermally deposited and materials showed high fluorescence intensity in the range of 318-531 nm for /Si and 326-472 nm for the /Si material, indicating that they could be used in optical devices.