Synthesis, crystal structure, NMR characterization, Thermal analysis and Spectroscopic Characteristics of [2,3-(CH3)2C6H3NH3]6P6O18.2H2O

Single crystals of [2,3-(CH3)2C6H3NH3]6P6O18.2H2O were synthesized in aqueous solution. This compound crystalizes in the P 141">  Triclinic unit cell with the parameters a = 9.97 Å, b = 16.06 Å, c =18.62 Å, α = 93.03°,  b  = 89.75 °, g = 93.85°, and Z = 2. Its crystal structure, determined by X-ray diffraction, consists of inorganic layers parallel to the ac plane. The organic molecules are disposed parallel to the plane bc on either side of each inorganic layer on which are anchored by hydrogen bonds via their ammonium groups (N-H…O). Configuration of the asymmetric unit is characterized by FT-IR spectroscopy and solid state NMR study of 31P

Physico-chemical characterization, Hirshfeld surface analysis andopto-electric properties of a newhybrid material: Tris (2-amino-5-chloropyridinium) hexachlorobismuthate(III)

International audienceOne novel bismuth (III) hybrid compound with 2-amino-5-chloropyridine was prepared. The crystal was grown by slow evaporation method at room temperature. The structure was determined by single-crystal X-ray diffraction. It crystallizes in the triclinic space group P-1, with the following parameters: a = 7.5076(4) Å, b = 12.3682(6) Å, c = 15.1265(6) Å and α = 98.893(2)°, β = 95.779(2)°, γ = 106.459(2)° with Z = 2 and V = 1315.26(11) Å3. The structure was solved with a final R = 0.03 for 5983 independent reflections. The crystal arrangement consists of [BiCl6]3− anions surrounded by [C5H6ClN2]+cations. Complex hydrogen bonding interactions between [BiCl6]3- and organic cations through N(C)H⋯Cl hydrogen bonds form a three-dimensional network. The crystal packing is stabilized by Cl⋯Cl interactions. Hirshfeld surface calculations were conducted to investigate intermolecular interactions, associated 2D fingerprint plots and enrichment ratio, revealing the quantitatively relative contribution of these interactions in the crystal packing. Thermal behavior was characterized by TG-DSC showing the decomposition of the compound at 180 °C. Furthermore, Impedance spectroscopy study in the temperature range from 298 K to 443 K and in the frequency range between 5 and 13 MHz revealed that the temperature dependence of DC conductivity follows the Arrhenius law. Moreover, the frequency dependence of conductivity follows Jonscher's dynamical law. Nyquist plots (Z″ versus Z′) are well fitted to an equivalent circuit model which consists of a parallel combination of a bulk resistance Rb and constant phase elements CPE