Synthesis, Spectroscopic, and Theoretical Study of Copper and Cobalt Complexes with Dacarbazine
| Autor: | Monika Kalinowska, Włodzimierz Lewandowski, Grzegorz Świderski, Ryszard Łaźny, Renata Świsłocka, Aleksandra Golonko, Marzena Matejczyk, Ali Osman Acar, Michal Sienkiewicz |
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| Rok vydání: | 2021 |
| Předmět: |
Technology
spectroscopy (IR Raman) chemistry.chemical_element dacarbazine 010402 general chemistry 01 natural sciences Article chemistry.chemical_compound Imidazole General Materials Science Triazene HOMO/LUMO Microscopy QC120-168.85 010405 organic chemistry Chemistry QH201-278.5 Thermal decomposition Aromaticity anticancer properties Engineering (General). Civil engineering (General) Copper NMR TK1-9971 0104 chemical sciences Descriptive and experimental mechanics 3d metal complexes Physical chemistry Electrical engineering. Electronics. Nuclear engineering TA1-2040 triazene Cobalt Natural bond orbital |
| Zdroj: | Materials, Vol 14, Iss 3274, p 3274 (2021) Materials Volume 14 Issue 12 |
| ISSN: | 1996-1944 |
| Popis: | Dacarbazine (DAC) 5-(3,3-dimethyl-1-triazenyl)imidazole-4-carboxamide 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 antitumor and mutagenic properties. DAC is a non-cell cycle specific drug, active in all phases of the 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 the imidazole ring in dacarbazine and the complexes were 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. |
| Databáze: | OpenAIRE |
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