Synthesis and Structure of the Mononuclear Zinc Complex with 4-Biphenylcarboxylate Anions and 1,10-Phenanthroline

A mononuclear complex [Zn(phbz) 2 (phen)] ( 1 , Hphbz = 4-biphenylcarboxylic acid, phen is 1,10-phenanthroline) is obtained, and its structure is determined by single crystal X-ray diffraction (XRD). It is additionally characterized by powder XRD, IR and NMR spectroscopy. The theoretic simulation (DFT B3LYP/Def2-TZVP) of the dimerization process of the complex shows that one of the reasons for the lack of experimental detection of dimeric structures of this type may be a low stabilization energy of the hypothetical binuclear compound [Zn 2 (phbz) 4 (phen) 2 ].