Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br)

A novel supramolecular hybrid compound, (C8H14N2)4·(TeBr6)3·2(Br), was synthesized at room temperature through slow evaporation and thoroughly characterized. Single-crystal X-ray diffraction analysis revealed its monoclinic structure (space group C2/c), with the crystal stabilized by NH…Br hydrogen...

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Main Authors:	Marwa Mhiri, Sergiu Shova, Mohamed Boujelbene
Format:	Article
Language:	English
Published:	Elsevier 2025-01-01
Series:	Results in Chemistry
Subjects:	Supramolecular hybrid material Vibrational study (FT-IR and Raman) Hirshfeld surface Differential thermal analysis (DTA) Thermogravimetric analysis (TGA)
Online Access:	http://www.sciencedirect.com/science/article/pii/S2211715624006659
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author	Marwa Mhiri Sergiu Shova Mohamed Boujelbene
author_facet	Marwa Mhiri Sergiu Shova Mohamed Boujelbene
author_sort	Marwa Mhiri
collection	DOAJ
description	A novel supramolecular hybrid compound, (C8H14N2)4·(TeBr6)3·2(Br), was synthesized at room temperature through slow evaporation and thoroughly characterized. Single-crystal X-ray diffraction analysis revealed its monoclinic structure (space group C2/c), with the crystal stabilized by NH…Br hydrogen bonds, anion…π+ and π…π interactions. Hirshfeld surface analysis quantified the intermolecular interactions, highlighting H…Br as the most dominant (55.7 %). Vibrational properties analyzed using FT-IR and Raman spectroscopy confirmed the functional groups of both organic and inorganic components, while thermal analysis demonstrated stability up to 100 °C. Preliminary insights into its structural features, such as the presence of [TeBr6]2− units and π interactions, suggest potential catalytic activity alongside optoelectronic and dielectric applications, warranting further investigation.
format	Article
id	doaj-art-990c99628e734186888f787036197e1b
institution	Kabale University
issn	2211-7156
language	English
publishDate	2025-01-01
publisher	Elsevier
record_format	Article
series	Results in Chemistry
spelling	doaj-art-990c99628e734186888f787036197e1b2025-01-29T05:00:44ZengElsevierResults in Chemistry2211-71562025-01-0113101969Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br)Marwa Mhiri0Sergiu Shova1Mohamed Boujelbene2Laboratory of Physico-Chemistry of Solid State, LR11ES51, Sfax Faculty of Sciences, University of Sfax, 3071 Sfax, Tunisia“Petru Poni” Institute of Macromolecular Chemistry, Alea Grigore Ghica voda 41-A, 700487 Iasi, RomaniaLaboratory of Physico-Chemistry of Solid State, LR11ES51, Sfax Faculty of Sciences, University of Sfax, 3071 Sfax, Tunisia; Corresponding author.A novel supramolecular hybrid compound, (C8H14N2)4·(TeBr6)3·2(Br), was synthesized at room temperature through slow evaporation and thoroughly characterized. Single-crystal X-ray diffraction analysis revealed its monoclinic structure (space group C2/c), with the crystal stabilized by NH…Br hydrogen bonds, anion…π+ and π…π interactions. Hirshfeld surface analysis quantified the intermolecular interactions, highlighting H…Br as the most dominant (55.7 %). Vibrational properties analyzed using FT-IR and Raman spectroscopy confirmed the functional groups of both organic and inorganic components, while thermal analysis demonstrated stability up to 100 °C. Preliminary insights into its structural features, such as the presence of [TeBr6]2− units and π interactions, suggest potential catalytic activity alongside optoelectronic and dielectric applications, warranting further investigation.http://www.sciencedirect.com/science/article/pii/S2211715624006659Supramolecular hybrid materialVibrational study (FT-IR and Raman)Hirshfeld surfaceDifferential thermal analysis (DTA)Thermogravimetric analysis (TGA)
spellingShingle	Marwa Mhiri Sergiu Shova Mohamed Boujelbene Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br) Results in Chemistry Supramolecular hybrid material Vibrational study (FT-IR and Raman) Hirshfeld surface Differential thermal analysis (DTA) Thermogravimetric analysis (TGA)
title	Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br)
title_full	Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br)
title_fullStr	Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br)
title_full_unstemmed	Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br)
title_short	Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br)
title_sort	characterization structural study hirshfeld surface vibrational properties and thermal analysis of a supramolecular hybrid compound c8h14n2 4· tebr6 3·2 br
topic	Supramolecular hybrid material Vibrational study (FT-IR and Raman) Hirshfeld surface Differential thermal analysis (DTA) Thermogravimetric analysis (TGA)
url	http://www.sciencedirect.com/science/article/pii/S2211715624006659
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Characterization, structural study, Hirshfeld surface, vibrational properties and thermal analysis of a supramolecular hybrid compound: (C8H14N2)4·(TeBr6)3·2(Br)

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