The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (CHN)[Fe(HO)(SO)].

The organic-inorganic hybrid compound 4-aminopyridinium tetraaquabis(sulfato)iron(III), (CHN)[Fe(HO)(SO)] (4apFeS), was obtained by slow evaporation of the solvent at room temperature and characterized by single-crystal X-ray diffraction in the temperature range from 290 to 80 K. Differential scanning calorimetry revealed that the title compound undergoes a sequence of three reversible phase transitions, which has been verified by variable-temperature X-ray diffraction analysis during cooling-heating cycles over the temperature ranges 290-100-290 K. In the room-temperature phase (I), space group C2/c, oxygen atoms from the closest Fe-atom environment (octahedral) were disordered over two equivalent positions around a twofold axis.

Complex study of glyphosate and metabolites influence on enzymatic activity and microorganisms association in soil enriched with Pseudomonas fluorescens and sewage sludge.

This is the first large scale study of fate of the glyphosate (GLP) and its metabolites, (AMPA, N-acetyl glyphosate, N-acetyl AMPA, sarcosine and glycine) monitored by LC/MS/MS. The laboratory trials of behavior of GLP in two types of agricultural soil were performed. Soil (S), soil enriched with sewage sludge (S + SL), soil with Pseudomonas fluorescens (S + P) and soil enriched with sewage sludge and P.

A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.

Water-presence dependent switchable ferroelectricity was discovered in the hybrid organic-inorganic zinc oxalate 1D coordination polymer (DABCOH2)[Zn(C2O4)2]·3H2O (DZnOH, where DABCOH2: diprotonated 1.4-diazoniabicyclo[2.2.

Order-disorder phase transition in an anhydrous pyrazole-based proton conductor: the enhancement of electrical transport properties.

The crystal structure of 1H-pyrazol-2-ium hydrogen oxalate has been studied at 100 K. It consists of two-dimensional layers built with one-dimensional chains that contain pyrazolium and oxalate acids bonded by N-HO and O-HO hydrogen bonds. According to the X-ray data and the Quantum Theory of Atoms in Molecules, it was shown that weak and moderate hydrogen bonds are present in the crystal at room temperature.

Synthesis and characterization of four organic-inorganic salts: sulfates of 2-aminopyridinium derivatives.

Hybrid materials, fabricated by the combination of inorganic and organic components, have potential applications in chemistry and are endowed with the advantages of both building elements. There are several types of intermolecular interactions present in these hybrid compounds, including electrostatic forces, π-π stacking and hydrogen-bonding interactions, the latter playing an important role in the construction of three-dimensional architectures and stabilizing supramolecular crystal structures. Analysis of the intermolecular interactions and their influence on packing modes therefore requires focused scientific attention.

Synthesis, structure and characterization of five new organically templated metal sulfates with 2-aminopyridinium.

The chemistry of organically templated metal sulfates has attracted interest from the materials science community and the development of synthetic strategies for the preparation of organic-inorganic hybrid materials with novel structures and special properties is of current interest. Sulfur-oxygen-metal linkages provide the possibility of using sulfate tetrahedra as building units to form new solid-state materials. A series of novel organically templated metal sulfates of 2-aminopyridinium (2ap) with aluminium(III), cobalt(II), magnesium(II), nickel(II) and zinc(II) were obtained from the respective aqueous solutions and studied by single-crystal X-ray diffraction.

Physical and Structural Characterization of Imidazolium-Based Organic-Inorganic Hybrid: (C3N2H5)2[CoCl4].

(C3N2H5)2[CoCl4] (ICC) was characterized in a wide temperature range by the single-crystal X-ray diffraction method. Differential scanning calorimetry revealed two structural phase transitions: continuous at 245.5 K (from phase I to II) and a discontinuous one at 234/237 K (cooling/heating) (II → III).

Crystal structure of tris-(piperidinium) hydrogen sulfate sulfate.

In the title molecular salt, 3C5H12N(+)·HSO4 (-)·SO4 (2-), each cation adopts a chair conformation. In the crystal, the hydrogen sulfate ion is connected to the sulfate ion by a strong O-H⋯O hydrogen bond. The packing also features a number of N-H⋯O hydrogen bonds, which lead to a three-dimensional network structure.

Crystal structure of an organic-inorganic hybrid compound based on morpholinium cations and a β-type Anderson polyanion.

A new organic-inorganic hybrid compound, penta-morpholinium hexa-hydrogen hexa-molybdoferrate(III) sulfate 3.5-hydrate, (C4H10NO)5[Fe(III)(OH)6Mo6O18](SO4)·3.5H2O, was obtained from an aqueous solution.

Synthesis and characterization of [(CH3)2NH2][Na0.5Cr0.5(HCOO)3]: a rare example of luminescent metal-organic frameworks based on Cr(III) ions.

A novel formate [(CH3)2NH2][Na0.5Cr0.5(HCOO)3] (DMNaCr) was prepared by a solvothermal method.

Synthesis and order-disorder transition in a novel metal formate framework of [(CH₃)₂NH₂]Na(0.5)Fe(0.5)(HCOO)₃].

We report the synthesis, crystal structure, thermal, dielectric, Raman, infrared, and magnetic properties of [(CH3)2NH2][Na(0.5)Fe(0.5)(HCOO)3] (DMNaFe), the first metal formate framework templated by organic cations, presenting an ABO3 perovskite architecture with NaO6 octahedra as building blocks of the framework.

Dielectric response and specific heat studies of Cd2Nb2O7 ceramics obtained from mechano-synthesized nanopowders.

Cd(2)Nb(2)O(7) is still an interesting ferroelectric material because of its high permittivity value at helium temperatures and a variety of dielectric relaxation processes, the origin of which is still puzzling. We prepared hot-pressed ceramics, with grain sizes from 100 to 150 nm, obtained from Cd(2)Nb(2)O(7) nanopowders synthesized by high-energy milling of CdO and Nb(2)O(5) and studied their dielectric response and thermal properties. The nanoceramics were characterized by X-ray diffraction and their dielectric properties were measured at temperatures from 4K to 575K.

Structure, phonon properties, and order-disorder transition in the metal formate framework of [NH4][Mg(HCOO)3].

We report the synthesis, crystal structure, thermal, dielectric, IR, and Raman studies of [NH4][Mg(HCOO)3] formate. Single-crystal X-ray diffraction shows that it crystallizes in the hexagonal space group P6322, with orientationally disordered NH4(+) ions located in the cages of the network. Upon cooling, [NH4][Mg(HCOO)3] undergoes a phase transition at around 255 K to the ferroelectric P63 structure.

Structural, vibrational and theoretical studies of anilinium trichloroacetate: new hydrogen bonded molecular crystal with nonlinear optical properties.

In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of the potential nonlinear optical (NLO) material anilinium trichloroacetate. The FT-IR and FT-Raman spectra of the compound have been recorded together between 4000-80 cm(-1) and 3600-80 cm(-1) regions, respectively. The compound crystallizes in the noncentrosymmetric space group of monoclinic system.

Investigation of structure-properties relationship in a novel family of halogenoantimonates(III) and halogenobismuthates(III) with morpholinium cation: [NH2(C2H4)2O]MX4. Crystal structure, phase transitions and dynamics of molecules.

Three new organic-inorganic hybrids based on halogenoantimonates(III) and halogenobismuthates(III) with the morpholinium cation, [NH2(C2H4)2O]SbCl4, [NH2(C2H4)2O]SbBr4 and [NH2(C2H4)2O]BiBr4, have been prepared and characterized with DSC, TGA, DTA and single-crystal X-ray diffraction. The common feature of the crystal structures of the studied compounds is the presence of polyanionic ([MX4]∞(-)) and morpholinium (head-to-tail configuration) chains, which expand themselves parallel to each other. The antimonate derivatives are isomorphous, crystallizing in a centrosymmetric orthorhombic Pbca space group and show no phase transitions (PTs) between 110 and 370 K.

Crystal structure, differential scanning calorimetric, infrared spectroscopy and theoretical studies of C(NH2)2(NH)*CH2=CHCOOH noncentrosymmetric crystal.

The X-ray and vibrational spectroscopic analysis of a new molecular complex of guanidine and acrylic acid are reported. The crystal of C(NH(2))(2)(NH)(*)CH(2)=CHCOOH belongs to Pna2(1) space group of orthorhombic system with Z=4, a=9.9242(34) Å, b, c=8.

X-ray diffraction, vibrational and quantum chemical investigations of 2-methyl-4-nitroanilinium trichloroacetate trichloroacetic acid.

The structural investigations of the molecular complex of 2-methyl-4-nitroaniline with trichloroacetic acid, namely 2-methyl-4-nitroanilinium trichloroacetate trichloroacetic acid (C(11)H(10)Cl(6)N(2)O(6)) have been performed by means of single crystal and powder X-ray diffraction method. The complex was formed with accompanying proton transfer from trichloroacetic acid molecule to 2-methyl-4-nitroaniline. The studied crystal is built up of singly protonated 2-methyl-4-nitroanilinium cations, trichloroacetate anions and neutral trichloroacetic acid molecules.

Anomalous thermal expansion of an organic crystal--implications for elucidating the mechanism of an enantiotropic phase transformation.

Two enantiotropic polymorphs of a dumbbell shaped molecule possess similar packing arrangements, in principle, but one of the polymorphs shows anomalously anisotropic thermal expansion while the other does not.

Disordered La3Cu4.88Se7.

The crystal structure of copper(I) lanthanum selenide, La(3)Cu(4.88)Se(7), obtained from the La(2)Se(3)-Cu(2)Se quasi-binary system, has been investigated using X-ray single-crystal diffraction. The positions of the La and Se atoms are ordered and lie on mirror planes, whereas all positions for the Cu atoms are partially occupied.

FT NIR Raman studies of alginic acid-benzimidazole polymer composite.

New bio-inspired polymer composites of alginic acid and benzimidazole were created and characterized by FT NIR Raman spectroscopy. The obtained films with 1:0.5, 1:1 and 1:1.

New 2-methylimidazole-dicarboxylic acid molecular crystals: crystal structure and proton conductivity.

Three new proton conducting molecular crystals, 2-methylimidazole glutarate, 2-methylimidazole suberate and 2-methylimidazole azelate, were obtained and their structure was determined by the x-ray diffraction method. The structure of the crystals was found to be of layer-type. A hydrogen bond network between the heterocycle, glutaric acid and water molecules was apparent in a single layer of 2-methylimidazole glutarate, whereas chains consisting of two heterocyclic molecules linked with hydrogen bonds with dicarboxylic acid were distinguished in a single layer of 2-methylimidazole suberate and azelate crystals.

Multiferroic BiFeO3 nanoparticles studied by electron spin resonance, X-ray diffraction and transmission electron microscopy methods.

The properties of multiferroic BiFeO3 nanoparticles with core-shell structure produced by mechanically activated room temperature synthesis were studies by electron spin resonance spectroscopy and X-ray diffraction. The data reveal essential differences in ordered and disordered regions among as-prepared and annealed samples. The thermally-induced increase in the average size of the grains and disappearance of the disordered grain shell determined from the electron spin resonance and X-ray diffraction are in a good agreement and were confirmed by transmission electron microscopy observations.

Structural and vibrational properties of K(3)Fe(MoO(4))(2)(Mo(2)O(7))-a novel layered molybdate.

The new compound K(3)Fe(MoO(4))(2)(Mo(2)O(7)) was synthesized and characterized by a single-crystal x-ray structure determination, and IR and Raman spectroscopic studies. The crystal structure at room temperature and ambient pressure is monoclinic, space group C 2/c, with the unit cell dimensions a = 32.885(7), b = 5.

From six- to five-coordinated Sb(III) in [(CH3)3PH]3[Sb2Cl9]: transition pathways from single-crystal X-ray diffraction.

[(CH(3))(3)PH](3)[Sb(2)Cl(9)] experiences four phase transitions which were found by means of calorimetry, thermogravimetry and X-ray diffraction. The crystal structure was solved in the space group P6(3)/mmc at 382 K (phase I), Pnam at 295 K (phase II) and Pna2(1) at 175 K (phase V). We observed an unusual increase in symmetry from the monoclinic to the orthorhombic form at the IV --> V transition.