IR-spectrum of monometallic copper(II) halogenide complexes with 1-tert-butyl-1,2,4-tria zole: experimental and quantum chemical studies

  • Djennet S. Saparova Belarusian State University, 4 Niezaliežnasci Avenue, Minsk 220030, Belarus
  • Andrey N. Bogatikov Belarusian State University, 4 Niezaliežnasci Avenue, Minsk 220030, Belarus
  • Vadim E. Matulis Belarusian State University, 4 Niezaliežnasci Avenue, Minsk 220030, Belarus
  • Mikhail M. Degtyarik Research Institute for Physical Chemical Problems, Belarusian State University, 14 Lieninhradskaja Street, Minsk 220006, Belarus
DOI: https://doi.org/10.33581/2520-257X-2019-2-12-20

Abstract

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.

Author Biographies

Djennet S. Saparova, Belarusian State University, 4 Niezaliežnasci Avenue, Minsk 220030, Belarus

student at the faculty of chemistry

Andrey N. Bogatikov, Belarusian State University, 4 Niezaliežnasci Avenue, Minsk 220030, Belarus

associate professor at the department of general che mistry and methods of teaching chemistry, faculty of chemistry

Vadim E. Matulis, Belarusian State University, 4 Niezaliežnasci Avenue, Minsk 220030, Belarus

PhD (chemistry), docent; senior researcher at the laboratory for chemistry of condensed systems

Mikhail M. Degtyarik, Research Institute for Physical Chemical Problems, Belarusian State University, 14 Lieninhradskaja Street, Minsk 220006, Belarus

PhD (chemistry); leading researcher at the laboratory for chemistry of condensed systems

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Published
2019-08-30
Keywords: monosubstituted 1,2,4-triazole, complex compounds, IR-spectroscopy, quantum chemical calculations
Supporting Agencies This work was performed in framework of topical plan for research and international cooperation between Joint Institute for Nuclear Research (JINR, Dubna) and Research Institute for Physical Chemical Problems of the Belarusian State University.
How to Cite
Saparova, D. S., Bogatikov, A. N., Matulis, V. E., & Degtyarik, M. M. (2019). IR-spectrum of monometallic copper(II) halogenide complexes with 1-tert-butyl-1,2,4-tria zole: experimental and quantum chemical studies. Journal of the Belarusian State University. Chemistry, 2, 12-20. https://doi.org/10.33581/2520-257X-2019-2-12-20
Issue
No 2 (2019): Journal of the Belarusian State University. Chemistry
Section
Original Articles

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