Quantum-chemical study of the structure and magnetic properties of mono- and binuclear Cu(II) complexes with 1,3-bis(3-(pyrimidin-2-yl)-1H-1,2,4-triazol-5-yl)propane

Baryshnikova, A. T.; Minaev, B. F.; Baryshnikov, Glib; Sun, Wei

doi:10.1134/s003602361605003x

Cited by 9 publications

(6 citation statements)

References 18 publications

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“…Based on the EPR spectra it can be proposed that cupric ions form complexes with ionized carboxylate groups, amino groups or thiol groups of cysteine. Copper(II) complexes often exhibit a distorted tetrahedral or octahedral structure [25]. Pentacoordinate copper(II) complexes are more rarely encountered.…”

Section: Resultsmentioning

confidence: 99%

Why Natural or Electron Irradiated Sheep Wool Show Anomalous Sorption of Higher Concentrations of Copper(II)

Porubská

Kleinová

Hybler³

et al. 2018

Molecules

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Sorption of higher concentrations of Cu(II) solution onto natural sheep wool or wool irradiated by an electron beam was studied. Sorption isotherms were of unexpected character, showing extremes. The samples with lower absorbed doses adsorbed less than non-irradiated wool, while higher doses led to increased sorption varying with both concentration and dose. FTIR spectra taken from the fibre surface and bulk were different. It was concluded that there was formation of Cu(II)-complexes of carboxylic and cysteic acids with ligands coming from various keratin macromolecules. Clusters of chains crosslinked through the ligands on the surface limit diffusion of Cu(II) into the bulk of fibre, thus decreasing the sorption. After exhausting the available ligands on the surface the remaining Cu(II) cations diffuse into the keratin bulk. Here, depending on accessibility of suitable ligands, Cu(II) creates simple or complex salts giving rise to the sorption extremes. Suggestion of a mechanism for this phenomenon is presented.

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Section: Resultsmentioning

confidence: 99%

Why Natural or Electron Irradiated Sheep Wool Show Anomalous Sorption of Higher Concentrations of Copper(II)

Porubská

Kleinová

Hybler³

et al. 2018

Molecules

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“…This points to the different coordination properties of Cu(II) and Co(II). As reported in papers [22,23,24], the spatial arrangement of Cu-complexes is variable according to environmental conditions. Therefore, several maxima on the sorption dependence may correspond to several types of polyhedron.…”

Section: Resultsmentioning

confidence: 99%

Role of Post-Exposure Time in Co(II) Sorption of Higher Concentrations on Electron Irradiated Sheep Wool

et al. 2019

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Sorption of Co(II) was investigated on natural as well as accelerated electron beam modified sheep wool involving low and high concentrations up to 200 mmol·dm−3. The sorption experiments confirmed the dependence of the sorption capacity not only on sorbate concentration and absorbed dose of energy, but also on post-exposure time. Post-exposure heating to accelerate transformation of the wool structure was of no effect on the sorption comparing with a simple storage for a period of 100 days. Under all tested conditions, the sorption maximum was measured for Co(II) concentration of 125 mmol·dm−3 and that was assigned to form a Co(II) complex with keratin. This assumption was tested on visible spectra of mixed solutions of Arginine and Co(II) to be a simplified model of Co(II) interaction with keratin. The sorption decrease is associated with generation of cross links between macro-chains through ligands of the Co-complex. The nodal points are a hindrance to diffusion of next ions into the fibers. Also, pH variations of aqueous extracts from the wool samples depending on absorbed dose and post-exposure time indicate complexity of the structural transformation being specific for each dose applied.

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“…As given in Table 4, all the systems adsorbent-adsorbate = Table 4: The correlation equations determined graphically for Cu(II) based on the linearized equations of models presented in Table 3 Dose match the model fully showing evidence of the sorption process spontaneity. In addition, due to the variability of the Cu-complexes architecture [34][35][36], the adsorbate has the potential to cover the entire available surface. From all the models tested, the Flory-Huggins model shows the R 2 set values nearest to R 2 = 1 for all absorbed doses.…”

Section: Discussionmentioning

confidence: 99%

“…With some simplification and based on papers [32,[34][35][36], we can assume that the reasons are as follows: (a) double Cu(II)-salts (carboxylates and cysteinates) bound to different side branches of keratin chain, (b) several types of potential ligands (amines, imines, hydroxyls, sulfhydryls), (c) the ability of Cu(II) to form several geometric structures of the complexes, including degenerates depending on the ligand availability and the spatial possibilities on the surface and in subsurface layers of the fibre. Such combined circumstances can hardly be fully covered by a single model.…”

Section: Calculation Of Parameters For Cu-fitting and Quasi-fitting Mmentioning

confidence: 99%

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Radiation-modified wool for adsorption of redox metals and potentially for nanoparticles

Porubská

Jomová

Lapčík

et al. 2020

Nanotechnology Reviews

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Electron beam irradiated sheep wool with absorbed radiation doses ranging from 0 to 165 kGy showed good adsorption properties toward copper cations. The Cu(ii) being Lewis acid generated several types of complex salts based on carboxylates or cysteinates with ligands available in keratin. Under these conditions, cross-links were formed between the keratin chains. Experimental data obtained from Cu(ii) adsorption using the concentration of 800–5,000 mg/L were tested for fitting to 10 isotherm models. Various compositions and architectures of the Cu(ii)-complexes were specified to be responsible for different isotherm model fittings. The copper cation showed adherence to Langmuir, Flory–Huggins, and partially Redlich–Peterson models. The latter clearly distinguished the native wool from the modified ones. Another aim is to investigate the conditions for the adsorption of anti-microbial nanoparticles in addition to the redox-active metals on radiation-modified wool taking into account that the diffusion of nanoparticles into the modified wool is governed by electrostatic interactions.

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Quantum-chemical study of the structure and magnetic properties of mono- and binuclear Cu(II) complexes with 1,3-bis(3-(pyrimidin-2-yl)-1H-1,2,4-triazol-5-yl)propane

Cited by 9 publications

References 18 publications

Why Natural or Electron Irradiated Sheep Wool Show Anomalous Sorption of Higher Concentrations of Copper(II)

Why Natural or Electron Irradiated Sheep Wool Show Anomalous Sorption of Higher Concentrations of Copper(II)

Role of Post-Exposure Time in Co(II) Sorption of Higher Concentrations on Electron Irradiated Sheep Wool

Radiation-modified wool for adsorption of redox metals and potentially for nanoparticles

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