Synthesis, Crystal Structure and Physicochemical Proprieties of a Cytosine Selenomolybdate Based on Strandberg-Type [Se2Mo5O21]4− Polyanion

Nagazi, Ichraf; Haddad, Amor

doi:10.1007/s10876-013-0658-0

Cited by 8 publications

(3 citation statements)

References 39 publications

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“…Previous literature utilizing molecular orbital calculations have ascribed the absorbance peaks between roughly 200 and 240 nm to ligand-to-metal charge-transfer transitions (O 2– → Mo 6+ ) from terminal oxygen atoms. 23 , 25 At 0.1 mM Mo, absorbance at 210 nm is primarily governed by the monomeric equilibria involving H 3 MoO 4 + ( eqs 2 – 4 ), which is the dominant species between 0.5 and 3 M HCl ( Figure 2 ). As Mo concentration increases, the growth of the absorption band at 245 nm indicates that the polynuclear equilibria are increasingly important.…”

Section: Resultsmentioning

confidence: 99%

Speciation of Molybdenum(VI) in Chloride Media at Elevated Mo Concentrations

2020

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Speciation of Mo(VI) in chloride media (0.5–11 M HCl) at elevated Mo concentrations (0.1–300 mM Mo) was investigated using UV spectroscopy. In addition to five major monomeric species, H 2 MoO 4 , H 3 MoO 4 + , H 3 MoO 4 Cl, MoO 2 Cl 2 , and MoO 2 Cl 3 – , chemometric analysis of UV spectra suggests the presence of three cationic dinuclear species that predominate in solutions of 1–4.5 M HCl at >20 mM Mo concentrations. Thermodynamic values and molar absorptivity spectra were calculated from UV spectrophotometric data using refined numerical methods. The stability constants determined for three Mo dimers are log β = 3.53 ± 0.05 (H 2 Mo 2 O 5 2+ ), log β = 3.60 ± 0.04 (H 3 Mo 2 O 5 3+ ), and log β = 2.91 ± 0.03 (H 3 Mo 2 O 6 Cl 2+ ).

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Section: Resultsmentioning

confidence: 99%

Speciation of Molybdenum(VI) in Chloride Media at Elevated Mo Concentrations

2020

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“…One of these structures is an inorganic hybrid polymer built from P 2 Mo 5 O 23 clusters and Cu(II)–cytosine subunits (Weng et al, 2002 ). There are two structures based on hetero-polyoxometalates, [SeMo 5 O 21 ] 4− and [(HAsO4)Mo 6 O 19 ] 6− (Nagazi and Haddad, 2014 ; Ayed et al, 2015 ). The last and possibly the closest structure to Compound 1 is a compound co-crystallized with [V 10 O 28 ] 6− and Na + ions (Bošnjakovic-Pavlovic et al, 2009 ).…”

Section: Resultsmentioning

confidence: 99%

Decavanadate Salts of Cytosine and Metformin: A Combined Experimental-Theoretical Study of Potential Metallodrugs Against Diabetes and Cancer

et al. 2018

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Cytosine, a DNA and RNA building-block, and Metformin, the most widely prescribed drug for the treatment of Type 2 Diabetes mellitus were made to react separately with ammonium or sodium metavanadates in acidic aqueous solutions to obtain two polyoxovanadate salts with a 6:1 ratio of cation-anion. Thus, compounds [HCyt]6[V10O28]·4H2O, 1 and [HMetf]6[V10O28]·6H2O, 2 (where HCyt = Cytosinium cation, [C4H6N3O]+ and HMetf = Metforminium cation, [C4H12N5]+) were obtained and characterized by elemental analysis, single crystal X-ray diffraction, vibrational spectroscopy (IR and Raman), solution 51V-NMR, thermogravimetric analysis (TGA-DTGA), as well as, theoretical methods. Both compounds crystallized in Pfalsemml-overline1¯ space group with Z' = 1/2, where the anionic charge of the centrosymmetric ion [V10O28]6− is balanced by six Cytosinium and six Metforminium counterions, respectively. Compound 1 is stabilized by π-π stacking interactions coming from the aromatic rings of HCyt cations, as denoted by close contacts of 3.63 Å. On the other hand, guanidinium moieties from the non-planar HMetf in Compound 2 interact with decavanadate μ2-O atoms via N−H···O hydrogen bonds. The vibrational spectroscopic data of both IR and Raman spectra show that the dominant bands in the 1000-450 cm−1 range are due to the symmetric and asymmetric ν(V−O) vibrational modes. In solution, 51V-NMR experiments of both compounds show that polyoxovanadate species are progressively transformed into the monomeric, dimeric and tetrameric oxovanadates. The thermal stability behavior suggests a similar molecular mechanism regarding the loss of water molecules and the decomposition of the organic counterions. Yet, no changes were observed in the TGA range of 540–580°C due to the stability of the [V10O28]6− fragment. Dispersion-corrected density functional theory (DFT-D) calculations were carried out to model the compounds in aqueous phase using a polarized continuum model calculation. Optimized structures were obtained and the main non-covalent interactions were characterized. Biological activities of these compounds are also under investigation. The combination of two therapeutic agents opens up a window toward the generation of potential metalopharmaceuticals with new and exciting pharmacological properties.

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“…redox process to one electron of the Mo VI /Mo V in the [Se 2 Mo 5 O 21 ] 4− Strandberg anion, as reported in other similar works. The peak-to-peak separations between the corresponding anodic and cathodic peaks (ΔEp) at the working electrode are larger than the reversible surface redox process, which might be due to non-ideal behavior[55]. Cyclic voltammograms (CVs) of (I) in the same medium (1M) H 2 SO 4 at different…”

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confidence: 99%

Supramolecular architecture of a novel non-centrosymmetric heteromolybdate hybrid for nonlinear optical applications: structure, characterization, stability study and DFT calculations

Djeribi,

Nagazi,

Dege

et al. 2023

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A novel non-linear optical organic–inorganic material based on three-dimensional (3D) Strandberg-type polyoxoselenomolybdate, (C6H14N2)2[Se2Mo5O21]·2.6 H2O (I) has been successfully obtained by solution process and characterized by scanning electron microscopy, infrared and ultraviolet spectroscopy, thermogravimetric analysis, cyclic voltammetry measurement. The electronic and electrochemical stability behaviour of the compound was evaluated as a function of pH and time via UV-visible spectroscopy and cyclic voltametry. Single X-Ray diffraction was used for complete structure elucidation which confirms the title compound crystallizes in the non-centrosymmetric orthorhombic space group P212121 thus allowing non-linear optical properties. The supramolecular framework exhibits a periodic arrangement of Strandberg clusters anions [Se2Mo5O21]4– connected to each other with water molecules and Dabconium organic cations through a network of hydrogen bonds. The intermolecular interactions which ensure the cohesion between different entities were ‎analysed by density functional theory calculations and Hirshfeld surface analysis. DFT ‎calculations with different functionals have been used to better understand several properties. A good agreement was found between the experimental and computational results.

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Synthesis, Crystal Structure and Physicochemical Proprieties of a Cytosine Selenomolybdate Based on Strandberg-Type [Se2Mo5O21]4− Polyanion

Cited by 8 publications

References 39 publications

Speciation of Molybdenum(VI) in Chloride Media at Elevated Mo Concentrations

Speciation of Molybdenum(VI) in Chloride Media at Elevated Mo Concentrations

Decavanadate Salts of Cytosine and Metformin: A Combined Experimental-Theoretical Study of Potential Metallodrugs Against Diabetes and Cancer

Supramolecular architecture of a novel non-centrosymmetric heteromolybdate hybrid for nonlinear optical applications: structure, characterization, stability study and DFT calculations

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