Publications by authors named "Simonov S"

Article Synopsis
  • A neutral iron(III) complex hydrate based on pyruvic acid thiosemicarbazone was synthesized and analyzed using various methods like FT-IR spectroscopy and X-ray diffraction, with its structure being reported for the first time.
  • The structure features an octahedron geometry around the Fe(III) ion formed by two ligands, resulting in unique interactions, including π-π interactions and hydrogen bonding.
  • Notably, the magnetic properties show a spin-crossover phenomenon at temperatures between 300-363 K, revealing weak antiferromagnetic exchange interactions between iron(III) centers, confirmed by theoretical calculations.
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Article Synopsis
  • The article discusses the creation of hybrid composite films by combining graphene oxide (GO) nanosheets with a spin-crossover complex and an organic cation, resulting in a new material called GO-1.
  • The hybrid material's properties were thoroughly analyzed using various advanced techniques, including microscopy and spectroscopy, to understand its structure and composition.
  • Results indicate that the GO nanosheets significantly affect the spin transition properties and magnetic behavior of the composite, highlighting the importance of the organic cation in the formation process.
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Potassium manganese fluoride phosphate, KMnPOF, has been obtained through mild hydrothermal synthesis and characterized by scanning electron microscopy, microprobe analysis and X-ray diffraction. The compound possesses an orthorhombic symmetry and chiral space group 222 with = 4.7884(2), = 9.

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The aim of the study was to conduct approximate assessment of the prevalence of osteoporotic changes and evaluate quality of life (QoL) in postmenopausal women using ECOS-16 questionnaire in Yerevan city. The cross-sectional survey was conducted for data collection among 196 postmenopausal women. The research material about QoL was collected using ECOS-16 questionnaire.

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The synthesis and characterization of a first salt-inclusion aluminophosphate oxocuprate, (Na,Li)(Cl,OH)[CuOAl(PO)], obtained as single crystals, is reported. A novel phase, with a strongly pseudo-orthorhombic structure, is described as a monoclinic crystal structure established by the study of a pseudomerohedric microtwin. It was investigated using scanning electron microscopy, microprobe analysis and low-temperature X-ray diffraction.

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The iron(III) anionic complex based on a pyruvic acid thiosemicarbazone ligand with the lithium cation Li[Fe(thpy)]·3HO (1) has been synthesized and characterized by FTIR spectroscopy, powder and single crystal X-ray diffraction, direct current magnetic susceptibility measurements, and Fe Mössbauer spectroscopy. Moreover, the molecular structure of the [Fe(thpy)] anion has been determined for the first time. The [Fe(thpy)] units in the triclinic 1̄ lattice of 1 are assembled into layers parallel to the plane.

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The first pentagonal-bipyramidal tungsten(III) complex (EtN)[W(DAPBH)(CN)] with a NO-type Schiff-base ligand and two apical cyanide groups was synthesized and characterized structurally and magnetically. The complex has a low-spin ( = 1/2) ground state and features unquenched orbital angular momentum = ±1 causing very strong Ising-type magnetic anisotropy.

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Four new heterometallic complexes combining [M(Hdapsc)] cations with the chelating Hdapsc {2,6-diacetylpyridine-bis(semicarbazone)} Schiff base ligand and [Cr(CN)] anion were synthesized: {[M(Hdapsc)]Cr(CN)K(HO)(EtOH)}·1.2(HO), M = Mn () and Co (), {[Mn(Hdapsc)]Cr(CN)(HO)}Cl·HO () and {[Co(Hdapsc)]Cr(CN)(HO)}Cl·2EtOH·3HO (). In all the compounds, M(II) centers are seven-coordinated by NO atoms of Hdapsc in the equatorial plane and N or O atoms of two apical -CN/water ligands.

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Novel copper phosphate chloride has been obtained under middle-temperature hydrothermal conditions. Its crystal structure was established based on the low-temperature X-ray diffraction data: NaLi(Cs,K)[Cu(PO)Cl]·3.5(HO,OH), sp.

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A series of six seven-coordinate pentagonal-bipyramidal (PBP) erbium complexes, with acyclic pentadentate [] Schiff-base ligands, 2,6-diacetylpyridine bis-(4-methoxybenzoylhydrazone) [HDAPMBH], or 2,6-diacethylpyridine bis(salicylhydrazone) [HDAPS], and various apical ligands in different charge states were synthesized: [Er(DAPMBH)(CHOH)Cl] (); [Er(DAPMBH)(HO)Cl]·2CHOH (); [Er(DAPMBH)(CHOH)Cl] (); [Er(DAPMBH)(CHOH)(N)] (); [(EtH)N][Er(HDAPS)Cl] (); and [(EtH)N][Y.Er.(HDAPS)Cl] ().

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Three tetraphenylborates of mononuclear Mn(III) cation complexes with hexadentate ligands, the products of the reaction between a N,N'-bis(3-aminopropyl)ethylenediamine and salicylaldehydes with the different haloid substitutions at the 5 or 3,5 positions, have been synthesized: [Mn(5-F-sal-N-1,5,8,12)]BPh (1), [Mn(3,5-diCl-sal-N-1,5,8,12)]BPh (2) and [Mn(3,5-Br,Cl-sal-N-1,5,8,12)]BPh (3). Their crystal structure, dielectric constant (ϵ) and magnetic properties have been studied. Ligand substituents have a dramatic effect on the structure and magnetic properties of the complexes.

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Single crystals of dinickel diphosphate dihydrate, Ni(HO)[PO], have been synthesized by a hydrothermal method. Its structure was refined in the monoclinic P2/n space group (unit cell parameters a = 6.2517(1) Å, b = 13.

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In this study, crystals of the hybrid layered structure, combined with Fe(III) Spin-Crossover (SCO) complexes with metal-dithiolate anionic radicals, and the precursors with nitrate and iodine counterions, are obtained and characterized. [Fe(III)(3-OMe-Saltrien)][Ni(dmit)] (), [Fe(III)(3-OMe-Saltrien)]NO·HO (), [Fe(III)(3-OMe-Saltrien)]I () (3-OMe-Saltrien = hexadentate NO Schiff base is the product of the condensation of triethylenetetramine with 3-methoxysalicylaldehyde; Hdmit = 2-thioxo-1,3-dithiole-4,5-dithiol). Bulk SCO transition was not achieved in the range 2.

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A series of three mononuclear pentagonal-bipyramidal V(iii) complexes with the equatorial pentadentate N3O2 ligand (2,6-diacethylpyridinebis(benzoylhydrazone), H2DAPBH) in the different charge states (H2DAPBH0, HDAPBH1-, DAPBH2-) and various apical ligands (Cl-, CH3OH, SCN-) were synthesized and characterized structurally and magnetically: [V(H2DAPBH)Cl2]Cl·C2H5OH (1), [V(HDAPBH)(NCS)2]·0.5CH3CN·0.5CH3OH (2) and [V(DAPBH)(CH3OH)2]Cl·CH3OH (3).

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Article Synopsis
  • - Two new types of K/Mn phosphate hydrates, KMn(HO)[PO] and KMn(HO)[Al(PO)], were synthesized as single crystals through hydrothermal methods and analyzed using X-ray diffraction.
  • - These compounds belong to a series of phosphates characterized by specific formulae involving combinations of potassium, manganese, and aluminum ions.
  • - A detailed study indicated that (II) forms a unique mixed anionic framework and exhibits paramagnetic behavior, connected to its crystal structure's cationic arrangement.
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Reactions of [Mn(H dapsc)Cl ]⋅H O (dapsc=2,6- diacetylpyridine bis(semicarbazone)) with K [Fe(CN) ] and (PPh ) [Fe(CN) ] lead to the formation of the chain polymeric complex {[Mn(H dapsc)][Fe(CN) ][K(H O) ]} ⋅1.5n H O (1) and the discrete pentanuclear complex {[Mn(H dapsc)] [Fe(CN) ] (H O) }⋅4 CH OH⋅3.4 H O (2), respectively.

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The organization of medical social care of patients with chronic cardiac insufficiency is focused on improving life of these patients through comprehensive interaction of all levels of medical care support of population. The organization of Schools of Health on the level of out-patient medical care specifically for patients with chronic cardiac insufficiency allows to extend the period of high-quality compensation of pathological condition.

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The iron(iii) complex [Fe(Hsemsal)(semsal)]·3H2O (1) (H2semsal - salicylaldehyde semicarbazone) has been synthesized and characterized by powder and single crystal X-ray diffraction, and magnetic susceptibility measurements. Crystal structure analysis showed that the complex forms neat stacks stabilized by hydrogen-bonding through water molecules and π-π interactions between phenolate rings of ligands. The complex does not exhibit spin-crossover phenomena and remains in the high-spin state down to 2 K.

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The Russian Federation is the largest and one of the most ethnically diverse countries in the world, however no centralized reference database of genetic variation exists to date. Such data are crucial for medical genetics and essential for studying population history. The Genome Russia Project aims at filling this gap by performing whole genome sequencing and analysis of peoples of the Russian Federation.

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The DFT calculations of the spin crossover complex [FeIII(Sal2-trien)]+ (1) with the following classification of conformers of 1 were performed. The study shows that rearrangements of ethylene group orientation in a coordinated ligand lead to the stabilization of the high-spin or low-spin iron(iii) state.

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Here we present a study where what can be seen as a static modulation wave encompassing four successive arrays of interacting iodine atoms in crystalline 1,4-Bis((4'-(iodoethynyl)phenyl) ethynyl)bicyclo[2,2,2]octane rotors changes the structure from one-half molecule to three-and-a-half molecules in the asymmetric unit below a phase transition at 105 K. The remarkable finding is that the total H spin-lattice relaxation rate, T, of unprecedented complexity to date in molecular rotors, is the weighted sum of the relaxation rates of the four contributing rotors relaxation rates, each with distinguishable exchange frequencies reflecting Arrhenius parameters with different activation barriers ( E) and attempt frequencies (τ). This allows us to show in tandem with rotor-environment interaction energy calculations how the dynamics of molecular rotors are able to decode structural information from their surroundings with remarkable nanoscale precision.

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Article Synopsis
  • Two one-dimensional coordination polymers (I and II) were synthesized, consisting of high-spin and low-spin Mn complexes connected by cyano groups.
  • Compound I exhibits single-chain magnet behavior, showing stabilization from magnetic interactions with an energy barrier of approximately 40 K.
  • The magnetic properties of I are unique due to unconventional spin coupling between the manganese complexes, presenting a potential for developing new molecular magnets.
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Article Synopsis
  • The radical anion salt [Fe{HC(pz)3}2](TCNQ)3 shows both conductivity and a spin-crossover transition linked to its Fe(II) complex structure.
  • The compound was synthesized and analyzed at various temperatures, revealing unusual quasi-two-dimensional conductivity characteristics.
  • Notable changes in resistivity and EPR signal intensity before the spin-crossover transition at 445 K indicate complex interactions between the TCNQ and Fe(II) spin subsystems.
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