Synthesis, characterization, Electrostatic Molecular Potential, H-bond Energy, spectroscopic properties and phase transitions of NH3(CH2)2NH3SnCl6

Abstract

The β-NH3(CH2)2NH3SnCl6 compound is a new crystal belonging to the large hybrid organic-inorganic compounds family, which has been synthesized by the solvent evaporation method and characterized by single crystal. It crystallizes in the zero-dimensional (3-D) triclinic P1¯ space group. The cell dimensions are: a = 7.038(1) Å, b = 7.112(6) Å, c = 26.412(3) Å, α=87.70(2) °, β=85.96(1) °, γ=60.28(3) °. The crystal structure was determined. It is described by a deformed lattice and the hydrogen bonds N–H···Cl cause a weak layer type solid. The cohesion and stability of the atomic arrangement result from the establishment of hydrogen bonds between (C2H10N2)2+ cations and isolated (SnCl6)2– anions. The NMR spectra show the presence of two organic groups C2H10N2, and three types of tin atom in the structure which is in agreement with the XRD structure. Furthermore, the room temperature Raman spectrum of the title compound was analyzed on the basis of data found in the literature. Approximately linear relations have been found between X-H···Y distances and the X–H stretching frequencies in the systems N–H···Cl. The optical proprieties of the crystal were studied using optical absorption UV–visible, which were investigated at room temperature exhibited one band at 321 nm. The results show that this compound exhibits three phases transitions at 123 K, 164 K and 264 K which was characterized by, differential scanning calorimetry (DSC), X-rays powder diffraction (DRX) and Raman spectroscopy. The Raman spectra of this compound were recorded from ambient temperature through the phase's transitions at 123 K, 165 K and 264 K. The observed phase transitions may be of the order–disorder type and probably of first-order character.