ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

A new 1-D polymeric chains of (C₂H₅N₄)[CdCl₃(H₂O)] perovskite: elaboration, structure, surface interaction analysis, vibrational study, and thermal behavior

Mohamed Habib Mrad

Department of Chemistry, College of Sciences and Humanities, Shaqra University, Ad-Dawadmi, Saudi Arabia

E-mail: m.mrad@su.edu.sa

Received: 24 February 2023  Accepted: 26 June 2023

Abstract:

The structure of the unique one-dimensional ABX₄-type of (C₂H₅N₄)[CdCl₃(H₂O)] perovskite is composed of the 3-amino-1,2,4-triazolium cation and the one-dimensional anionic [CdCl₃(H₂O)]_nⁿ⁻ chain. The inter-chains voids contain 3-amino-1,2,4-triazolium cations, which balance the charge. The coulombic and van der Waals forces, together with hydrogen-bond interactions, maintain the crystal structure in a non-covalent manner. The Hirshfeld surface analysis aids in quantifying intermolecular interactions, revealing that the H…Cl/Cl…H interaction contributes 52.9% of the crystal packing. The vibrational absorption bonds were identified by infrared spectroscopy. In addition, the material was examined using UV–visible absorption spectroscopy, shows the semiconducting behavior of this compound with relatively low gap energy 2.6 eV, promising for diverse applications especially in solar cells. Furthermore, this compound’s thermal analysis reveals thermal stability until 385 K.

Keywords: Structure; Cd complex; Hybrid coordination polymer; Non-covalent interactions; Gap energy; 2D fingerprint plots; Thermal stability

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-023-02948-4

Chemical Papers 77 (10) 6397–6407 (2023)