Open AccessIR-spectrum of monometallic copper(II) halogenide complexes with 1-tert-butyl-1,2,4-tria zole: experimental and quantum chemical studies
Author(s) -
Д. С. Сапарова,
А. Н. Богатиков,
Вадим Э. Матулис,
Михаил Михайлович Дегтярик,
Олег А. Ивашкевич
Publication year - 2019
Publication title -
žurnal belorusskogo gosudarstvennogo universiteta. himiâ
Language(s) - English
Resource type - Journals
eISSN - 2617-3980
pISSN - 2520-257X
DOI - 10.33581/2520-257x-2019-2-12-20
Subject(s) - chemistry , halide , infrared spectroscopy , bromide , metal halides , copper , metal , crystallography , 1,2,4 triazole , inorganic chemistry , chloride , medicinal chemistry , organic chemistry
The crystalline complexes CuL2X2 and CuL4X2 , where X = Cl or X = Br were synthesized by the interaction of copper(II) chloride or bromide with 1-tert-butyl-1,2,4-triazole (L) in water or organic solvents. The structure of metal complexes have been studied by elemental analysis, X-ray analysis and IR-spectroscopy in the medium (4000 –500 cm –1 ) and long-wavelength (400–50 cm –1 ) regions. Quantum chemical calculations of the vibrational spectra of the CuL2Cl2 and CuL4Cl2 complexes have been carried out to perform the assignment of the signals in the IR-spectra. It is shown that the polymer structure of CuL2X2 complexes is formed due to bridging of one of their halide ions. In the CuL4X2 complexes, the halide ions and 1-tert-butyl-1,2,4-triazole form an island type structure. In all metal complexes 1-tert-butyl-1,2,4-triazole is coordinated by N(4) atom of heterocycle.