scholarly journals Benchmarking magnetic and spectroscopic properties on highly stable 3d metal complexes with tuneable bis(benzoxazol-2-yl)methanide ligands

2021 ◽  
Author(s):  
Christina M. Legendre ◽  
Daniel Lüert ◽  
Regine Herbst-Irmer ◽  
Dietmar Stalke
Keyword(s):  
Metal Complexes ◽  
Spectroscopic Properties ◽  
3D Metal Complexes

Two series a and b of 3d metal based complexes 1-4 [MII{(4-R-NCOC6H4)2CH}2], (with M = Mn (1), Fe (2), Co (3), Ni (4) and R = H (a) or Me...

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

2021 ◽  
Author(s):  
Grzegorz Świderski ◽  
Ryszard Łaźny ◽  
Michał Sienkiewicz ◽  
Monika Kalinowska ◽  
Renata Świsłocka ◽  
...  
Keyword(s):  
Metal Complexes ◽  
Alkylating Agents ◽  
Imidazole Ring ◽  
Spectroscopic Properties ◽  
Electronic Charge ◽  
Dft Methods ◽  
3D Metal Complexes ◽  
Homo And Lumo ◽  
Ft Ir ◽  
Thermal Stability Of

: 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.

scholarly journals Synthesis, Spectroscopic, and Theoretical Study of Copper and Cobalt Complexes with Dacarbazine

Materials ◽  
2021 ◽  
Vol 14 (12) ◽  
pp. 3274
Author(s):  
Grzegorz Świderski ◽  
Ryszard Łaźny ◽  
Michał Sienkiewicz ◽  
Monika Kalinowska ◽  
Renata Świsłocka ◽  
...  
Keyword(s):  
Metal Complexes ◽  
Alkylating Agents ◽  
Imidazole Ring ◽  
Spectroscopic Properties ◽  
Electronic Charge ◽  
Dft Methods ◽  
3D Metal Complexes ◽  
Homo And Lumo ◽  
Ft Ir ◽  
Thermal Stability Of

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.

scholarly journals Synthesis of Some 3d Metal Complexes of Quinine and their Toxicological Studies

1970 ◽  
Vol 25 ◽  
pp. 19-28 ◽  
Author(s):  
Adedibu C. Tella ◽  
Joshua A. Obaleya
Keyword(s):  
Stability Constant ◽  
Metal Complexes ◽  
Chemical Society ◽  
Cinchona Alkaloids ◽  
Albino Rats ◽  
Spectroscopic Techniques ◽  
Tetrahedral Geometry ◽  
Toxicological Studies ◽  
3D Metal Complexes ◽  
The Stability

Four metal complexes of antimalarials cinchona alkaloids; [Co(Quin)Cl3]-1,[Fe(Quin)Cl2H2O]SO3H2O-2, [Cu(Quin)ClSO4]∞-3 and [Cd(Quin)ClSO4]∞-4 have beensynthesized and characterized by elemental analysis, conductivity, magnetic moment, IR,UV-Vis and mass spectroscopic techniques. The tetrahedral geometry is assigned for all thefour complexes and the quinine ligand is protonated at quinuclidine N atom with thecoordination of the metal at quinoline N atom for all the complexes. Complexes 1 and 2have zwitterionic structures while complexes 3 and 4 are polymeric in nature with zig-zagextended chains (MCl- O -SO2- O -MCl- O –SO2---).Stability constant of the complexes were evaluated for the metal salts. The value of thestability constant (β) was found to be log 10.48, 9.92, 7.98 and 7.81 for Cu(II), Fe(III),Co(II) and Cd(II), respectively and the order of β was found to beCu(II)>Fe(III)>Co(II)>Cd(II). The stability constant data revealed that concomitantlyadministration of quinine with preparation containing these metals may reduce theirefficacy. Toxicological study was carried out by investigating the effect of administration ofthe complexes on alkaline phosphatase activity of kidney, liver and serum of Albino rats. Allthe examined four metal complexes were found to be non-toxic.Keywords: Quinine, stability constant, FTIR, MS, phosphates activity.DOI:  10.3126/jncs.v25i0.3280Journal of Nepal Chemical Society Volume 25, 2010 pp 19-28

Five coordination in 3d metal complexes

1968 ◽  
Vol 17 (1) ◽  
pp. 95-128 ◽  
Author(s):  
Luigi Sacconi
Keyword(s):  
Metal Complexes ◽  
3D Metal Complexes

Synthesis and spectroscopic properties of four metal complexes with bipyridinium-based ligand

2018 ◽  
Vol 71 (1) ◽  
pp. 35-45 ◽  
Author(s):  
Jiangyun Wang ◽  
Fenglian Zhang ◽  
Qianxiu Pan ◽  
Aili Zheng
Keyword(s):  
Metal Complexes ◽  
Spectroscopic Properties

scholarly journals Thermal, spectroscopic, X-ray and theoretical studies of metal complexes (sodium, manganese, copper, nickel, cobalt and zinc) with pyrimidine-5-carboxylic and pyrimidine-2-carboxylic acids

2019 ◽  
Vol 138 (4) ◽  
pp. 2813-2837 ◽  
Author(s):  
G. Świderski ◽  
R. Świsłocka ◽  
R. Łyszczek ◽  
S. Wojtulewski ◽  
M. Samsonowicz ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
Nitrogen Atom ◽  
Metal Complexes ◽  
General Formula ◽  
Pyrimidine Ring ◽  
Carboxylate Ligand ◽  
Metal Centers ◽  
X Ray ◽  
Carboxylate Oxygen ◽  
3D Metal Complexes

Abstract The new 3d metal complexes of pyrimidine-2-carboxylic (2PCA) and pyrimidine-5-carboxylic (5PCA) acids were synthesized and characterized using thermal analysis (TG–DSC, TG–FTIR), X-ray, spectroscopic (IR, Raman) methods and theoretical (DFT) studies. In the complexes of pyrimidine-2-carboxylic acid of the general formula M(2PCA)2·xH2O (where 2PCA-pyrimidine-2-carboxylate; M = Mn(II), Co(II), Ni(II), Cu(II) and Zn; x = 0 for Mn and Cu; x = 2 for Co, Ni and Zn) coordination of metal ions occurs through nitrogen atom from pyrimidine ring and carboxylate oxygen atom. The complexes of pyrimidine-5-carboxylic acid of the general formula M(5PCA)2·xH2O (where 5PCA—pyrimidine-5-carboxylate; M = Mn(II), Co(II), Ni(II), Cu(II) and Zn; x = 6 for Cu and 4 for remaining complexes) were obtained as monomeric isostructural compounds. Coordination of metal centers occurs through two nitrogen atom from different pyrimidine-5-carboxylate ligand and four oxygen atoms from water molecules. The IR and Raman spectra of free acids as well as obtained metal(II) complexes were described in detail. Aromaticity (HOMA, EN, GEO and I6) of complexes was determined and discussed. The investigated compounds decompose in air in two main stages connected with dehydration and decomposition/burning of anhydrous compounds to the suitable metal oxides. Thermal decomposition in nitrogen leads to the evolution of water, carbon oxides, ammonia and pyrimidine molecules.

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