An organic ligand 1-(1H-benzimidazol-1-ylmethyl)-1H-benzotriazole (bta) and two zinc complexes of the composition [Zn(bta)2Hal2] (Hal = Cl, Br) were synthesized. The crystal structure of the complex [Zn(bta)2Cl2] was determined and its features were discussed. According to X-ray diffraction data, the central atom has a tetrahedral environment composed of two nitrogen atoms from two ligand molecules coordinated in monodentate mode and two terminal chloride ions. Density functional theory (DFT) calculations of the ligand and complex [Zn(bta)2Cl2] were carried out. A study of the luminescence properties of the compounds synthesized suggests that excitation of the zinc complexes gives rise to a dual-band luminescence similar to that of the free ligand. Most probably, the emission originates from π—π* and π—π* intra-ligand transitions.

Язык оригиналаанглийский
Страницы (с-по)1873-1883
Число страниц11
ЖурналRussian Chemical Bulletin
Номер выпуска10
СостояниеОпубликовано - 1 окт 2020


Подробные сведения о темах исследования «Zinc complexes with 1-(1H-benzimidazol-1-ylmethyl)-1H-benzotriazole: the structure, quantum chemical calculations, and luminescence properties». Вместе они формируют уникальный семантический отпечаток (fingerprint).