Crystal structure, vibrational spectroscopy and optical properties of a one-dimensional organic-inorganic hybrid perovskite of [NH3CH2CH(NH3)CH2]BiCl5

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2019 Oct 1;75(Pt 5):880-886. doi: 10.1107/S2052520619011314. Epub 2019 Sep 21.

Abstract

In this work the crystal structure by single crystal X-ray measurement and optical properties of 1D propane-1,2-diammonium pentachlorobismuthate [NH3CH2CH(NH3)CH3]BiCl5 organic-inorganic hybrid perovskite are presented. It is prepared by mixing ethanolic solution of equimolar ratios (1:1) of its basic components. The title compound crystallized in the noncentrosymmetric orthorhombic space group Pca21 with Z = 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 vibrational spectra are studied by Raman and infrared spectroscopy. The optical properties show a strong absorption in the ultraviolet region, the band gap energy Eg is found to be 3.15 eV. Cathodoluminescence measurements are also discussed.

Keywords: Bi halide perovskite; crystal structure; one-dimensional hybrid perovskite; optical properties; vibrational spectroscopy.