Abstract

A new complex [Zn(Piv)2(Pyzphen)] (I) was prepared by the reaction of pyrazino[2,3-f][1,10]phenanthroline (Pyzphen) with Zn(II) pivalate [Zn(Piv)2]n. An X-ray diffraction study (CIF file CCDC no. 1912821) revealed that complex I has a mononuclear structure, with ZnN2O4 coordination unit being a distorted trigonal prism. Quantum chemical simulation of dimerization of complex I, resulting in the hypothetical binuclear product [Zn(Piv)2(Pyzphen)]2 (II), showed that two energy demanding transition states present on the path of association of the complex molecules may prevent the experimental isolation of binuclear complex II. According to the results of luminescence studies of the Pyzphen ligand and complex I, the ligand emission band shifts to the blue region upon coordination to zinc(II) ion.

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