Crystal structure and optical properties of 1D-bi based organic-inorganic hybrid perovskite

In the pages that follow,the structure of the crystal, unit cell dimension and complete structure information will be shown by single crystal x-ray diffraction and measuring some physical properties of 1D propylene diammonium pentachloro bismuthate [(NH3)2(CH2)3]BiCl5 organic-inorganic hybrid perovskites (OIHs).Slow evaporation method is used to prepared the synthesis. The process of preparation occurred by mixing ethanolic solution of equimolar ratios (1:1) of its basic components (organic / inorganic). The Bi hybrid crystallized in orthorhombic non centro-symetric Pca21 structure with 8 molecules per unit cell.The unit cell parameters are a = 19.8403 (7) Å, b = 6.3303 (2) Å, c = 19.0314 (7) Å. The average C-C bond lengths are 1.50Å. The average N-C bond lengths are 1.47Å. The connection between organic parts to inorganic part is via hydrogen bond (H. Bond). Raman spectroscopy and also Fourier transform infrared spectroscopy (FTIR) have been used to study the vibrational spectra that shows the main diffraction peaks and their assignment. Diffuse reflectance spectra (DRS) method is used to study the optical properties and show that there is a strong absorption in the UV region for Bi hybrid. Kubelka-Munk equation has been used to calculate the band gap energy and indicates that the band gap for the present investigated hybrid is equals 3.15 eV.