Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.11851/7578
Title: Synthesis, Spectroscopic, and Theoretical Study of Copper and Cobalt Complexes with Dacarbazine
Authors: Swiderski, Grzegorz
Lazny, Ryszard
Sienkiewicz, Michal
Kalinowska, Monika
Swislocka, Renata
Acar, Ali Osman
Lewandowski, Wlodzimierz
Keywords: dacarbazine
triazene
anticancer properties
3d metal complexes
spectroscopy (IR
Raman)
NMR
Issue Date: 2021
Publisher: Mdpi
Abstract: 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 (HNMR)-H-1 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.
URI: https://doi.org/10.3390/ma14123274
https://hdl.handle.net/20.500.11851/7578
ISSN: 1996-1944
Appears in Collections:Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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