Universität zu Köln

Garci, Fatma, Chebbi, Hammouda, Klein, Axel ORCID: 0000-0003-0093-9619 and Zid, Mohamed Faouzi (2021). Crystal structure, vibrational spectra, optical properties and thermal behavior of the 1D perovskite (2-amino-4-methylpyridinium)trichlorocadmate(II) (C6H9N2)(1)(infinity)[CdCl3]. J. Coord. Chem., 74 (21-24). S. 3182 - 3195. ABINGDON: TAYLOR & FRANCIS LTD. ISSN 1029-0389

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Abstract

The organic-inorganic hybrid compound (2-amino-4-methylpyridinium) trichlorocadmate(II), (C6H9N2)(1)(infinity)[CdCl3] was prepared in crystalline form by solvent evaporation at room temperature. Infrared and Raman spectra allowed tracing the entities of the organic aromatic cation and the inorganic (infinity CdCln)-Cd-1 scaffold. X-ray diffraction showed that the compound crystallizes in the orthorhombic system in the centrosymmetric space group Pnma and has a one-dimensional (1 D) perovskite structure. Hirshfeld surface analyses (d(norm) and shape index) of the studied structure, as well as its fingerprints, allowed us to identify and quantify the intermolecular interactions such as H bonds and pi stacking. UV-visible absorption spectroscopy allowed us to estimate the direct band gap using the Tauc-extrapolation method. From this, we conclude a semiconducting character of the compound with a band gap of about 3.5 eV. Photoluminescence was observed with maxima at 351 and 388 nm when excited at 312 nm and can be traced to excited pi-pi* states in the organic cation. Thermogravimetric and differential thermal analysis showed that the compound is stable up to 200 degrees C and decomposes stepwise.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Garci, Fatma UNSPECIFIED UNSPECIFIED UNSPECIFIED Chebbi, Hammouda UNSPECIFIED UNSPECIFIED UNSPECIFIED Klein, Axel UNSPECIFIED orcid.org/0000-0003-0093-9619 UNSPECIFIED Zid, Mohamed Faouzi UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-586903
DOI:	10.1080/00958972.2021.2024171
Journal or Publication Title:	J. Coord. Chem.
Volume:	74
Number:	21-24
Page Range:	S. 3182 - 3195
Date:	2021
Publisher:	TAYLOR & FRANCIS LTD
Place of Publication:	ABINGDON
ISSN:	1029-0389
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language HIRSHFELD SURFACE-ANALYSIS; DIELECTRIC-PROPERTIES; HALIDE PEROVSKITES; COMPLEXES Multiple languages Chemistry, Inorganic & Nuclear Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/58690