Synthesis, Structure, and Optical Properties of a Dinuclear Zn(II) Complex Based on a C2-Symmetric Diimine Containing Fragments of Nopinane-Annelated 4,5-Diazafluorene

A new complex, [Zn2Cl4L]·MeCN, is prepared using an optically active ligand L containing two dipinodiazafluorene fragments connected by a =N–Ph–N= diimine linker. In the binuclear complex [Zn2Cl4L], ligand L binds two ZnCl2 units where Zn atoms occur in a distorted tetrahedral N2Cl2 environment (seesaw configuration). The geometry, electronic structure, and optical properties of the complex are studied by the density functional theory method. Experimental absorption and diffuse reflectance spectra of [Zn2Cl4L]·MeCN reveal electronic transitions in the 230-600 nm range and agree with the results of quantum chemical calculations.