Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Synthesis, Spectroscopic, Calculated and Thermal Study of Copper and Cobalt Complexes with Dacarbazine

Version 1 : Received: 16 April 2021 / Approved: 19 April 2021 / Online: 19 April 2021 (16:59:49 CEST)

A peer-reviewed article of this Preprint also exists.

Świderski, G.; Łaźny, R.; Sienkiewicz, M.; Kalinowska, M.; Świsłocka, R.; Acar, A.O.; Golonko, A.; Matejczyk, M.; Lewandowski, W. Synthesis, Spectroscopic, and Theoretical Study of Copper and Cobalt Complexes with Dacarbazine. Materials 2021, 14, 3274. Świderski, G.; Łaźny, R.; Sienkiewicz, M.; Kalinowska, M.; Świsłocka, R.; Acar, A.O.; Golonko, A.; Matejczyk, M.; Lewandowski, W. Synthesis, Spectroscopic, and Theoretical Study of Copper and Cobalt Complexes with Dacarbazine. Materials 2021, 14, 3274.

Journal reference: Materials 2021, 14, 3274
DOI: 10.3390/ma14123274

Abstract

: Dacarbazine, DAC, 5-(3,3-dimethyltriazeno)imidazol-4-carboxamideis is an imidazole-carboxamide derivative, that is structurally related to purines. DAC belongs to the triazene compounds, which are a group of alkylating agents with antitumour and mutagenic properties. DAC is a non-cell cycle specific drug, active on all phases of cellular cycle. In the frame of this work the 3d-metal complexes (cobalt and copper) with dacarbazine were synthesized. Their spectroscopic properties by the use of FT-IR, FT-Raman and 1HNMR were studied. The structures of dacarbazine and its complexes with copper(II) and cobalt(II) were calculated using DFT methods. The effect of metals on the electronic charge distribution of dacarbazine was discussed on the basis of calculated NBO atomic charges. The reactivity of metal complexes in relation to ligand alone was estimated on the basis of calculated energy of HOMO and LUMO orbitals. The aromaticity of imidazole ring in dacarbazine and the complexes was compared (on the basis of calculated geometric indices of aromaticity). Thermal stability of the investigated 3d-metal complexes with dacarbazine and the products of their thermal decomposition were analyzed.

Keywords

dacarbazine, triazene, anticancer properties, 3d-metal complexes, spectroscopy (IR, Raman), NMR

Subject

CHEMISTRY, Analytical Chemistry

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