Structure investigation and vibrational spectroscopy of two prospective hybrid perovskites based on Mn and Co

• Published in: The Journal of physics and chemistry of solids 2022-02, Vol.161, p.110400, Article 110400
• Main Authors: Abdel-Aal, S.K., Bortel, G., Pekker, Á., Kamarás, K., Faigel, G., Abdel-Rahman, A.S.
• Format: Article
• Language: English
• Subjects: Crystal structure; Differential scanning calorimetry; Hybrid halide perovskite; Infrared; Organic-inorganic hybrid; Raman and UV/VIS spectroscopy; Thermogravimetric analysis
• ISSN: 0022-3697; 1879-2553
• DOI: 10.1016/j.jpcs.2021.110400

Single crystals of two organic-inorganic hybrid (OIH) perovskites containing 1,5 pentylenediammonium, [NH3-(CH2)5–NH3] MnCl3.47Br0.53 (C5MnCB) and [NH3-(CH2)5–NH3] CoCl2.72Br1.28 (C5CoCB) were grown from solution by evaporation. The structure is investigated by single crystal x-ray diffraction, and infrared and Raman spectroscopy is used to help proper space group selection. The C5MnCB hybrid perovskite crystallizes in the orthorhombic space group Ima2, with unit cell parameters a = 23.9358(11) Å, b = 7.4110(3) Å, c = 7.1765(4) Å, V = 1273.03(11) Å3 and Z = 4. In this sample two types of disorder are found: a preferential substitution of Cl by Br, and a dynamical disorder caused by the rotation of the NH3+ group. The C5CoCB hybrid perovskite crystallizes in the monoclinic space group P21/c, with unit cell parameters a = 7.1914(14) Å, b = 16.265(4) Å, c = 11.248(2) Å, β = 98.033(7)°, V = 1302.7(5) ų and Z = 4. In this compound a random Cl–Br occupancy is present. Based on UV–Vis spectroscopy and thermal stability measurements, we suggest possible photovoltaic and visible light photocatalytic applications. •Structural and optical studies on single crystal organic-inorganic hybrid perovskites.•The effect of metal and halide ions are investigated.•Prospective materials for photovoltaic and visible light photocatalytic applications.