This work describes a new two-dimensional chlorocadmate (II) compound formulated us (C6H5CH2N(C2H5)3) [Cd3Cl7] has been synthesized by slow evaporation method at room temperature and characterized by single-crystal X-ray diffraction. Structural analysis reveals that this compound crystallizes in the triclinic system with centrosymetric P -1 space group. The molecular arrangement of the crystal displays a two-dimensional (2D) structure which consist in one (C6H5CH2N(C2H5)3)+cation and one anionic layers [Cd3Cl7]-. The various components are interconnected through non-classical C-H...Cl hydrogen bonds, Coulombic attractions, and van der Waals interactions, which collectively secure the unity and stability of the crystal arrangement. This interaction ensemble contributes to the formation of a three-dimensional (3D) supramolecular network. The examination of the crystal structure provides a new interesting example of covalent polymeric layers of [Cd3Cl7]n. The intermolecular interactions were identified using Hirshfeld surfaces as well 2D-fingerprint plots. Furthermore, Infrared (IR) spectrum was analyzed, confirming the presence of the organic cation. Thermogravimetric analysis (TGA) reveals that the studied compound remains stable up to 266 degrees C. DSC thermogram shows that it undergoes two endothermic anomalies around 79.6 degrees C and 139 degrees C. Diffuse reflectance spectra (DRS) method was used to study the optical properties and shows that there is a strong absorption in the UV region for Cd hybrid. Kubelka-Munk equation has been used to calculate the band gap energy indicating that the material is a direct type (4.25 eV). Photoluminescence spectroscopy (PL) proves that the title material was well structured.

Synthesis, crystal structure study, thermal, Hirshfeld surface, optical and photoluminescence properties of new organic-inorganic hybrid material: (C6H5CH2N(C2H5)3)[Cd3Cl7] / Dadi, A.; Rhouma, N. M.; Bacchi, A.; Mazzeo, P. P.; Khirouni, K.; Arfi, R. B.; Loukil, M.; Ghorbal, A.. - In: JOURNAL OF MOLECULAR STRUCTURE. - ISSN 0022-2860. - 1295:(2024), pp. 136640-136647. [10.1016/j.molstruc.2023.136640]

Synthesis, crystal structure study, thermal, Hirshfeld surface, optical and photoluminescence properties of new organic-inorganic hybrid material: (C6H5CH2N(C2H5)3)[Cd3Cl7]

Bacchi A.;Mazzeo P. P.;
2024-01-01

Abstract

This work describes a new two-dimensional chlorocadmate (II) compound formulated us (C6H5CH2N(C2H5)3) [Cd3Cl7] has been synthesized by slow evaporation method at room temperature and characterized by single-crystal X-ray diffraction. Structural analysis reveals that this compound crystallizes in the triclinic system with centrosymetric P -1 space group. The molecular arrangement of the crystal displays a two-dimensional (2D) structure which consist in one (C6H5CH2N(C2H5)3)+cation and one anionic layers [Cd3Cl7]-. The various components are interconnected through non-classical C-H...Cl hydrogen bonds, Coulombic attractions, and van der Waals interactions, which collectively secure the unity and stability of the crystal arrangement. This interaction ensemble contributes to the formation of a three-dimensional (3D) supramolecular network. The examination of the crystal structure provides a new interesting example of covalent polymeric layers of [Cd3Cl7]n. The intermolecular interactions were identified using Hirshfeld surfaces as well 2D-fingerprint plots. Furthermore, Infrared (IR) spectrum was analyzed, confirming the presence of the organic cation. Thermogravimetric analysis (TGA) reveals that the studied compound remains stable up to 266 degrees C. DSC thermogram shows that it undergoes two endothermic anomalies around 79.6 degrees C and 139 degrees C. Diffuse reflectance spectra (DRS) method was used to study the optical properties and shows that there is a strong absorption in the UV region for Cd hybrid. Kubelka-Munk equation has been used to calculate the band gap energy indicating that the material is a direct type (4.25 eV). Photoluminescence spectroscopy (PL) proves that the title material was well structured.
2024
Synthesis, crystal structure study, thermal, Hirshfeld surface, optical and photoluminescence properties of new organic-inorganic hybrid material: (C6H5CH2N(C2H5)3)[Cd3Cl7] / Dadi, A.; Rhouma, N. M.; Bacchi, A.; Mazzeo, P. P.; Khirouni, K.; Arfi, R. B.; Loukil, M.; Ghorbal, A.. - In: JOURNAL OF MOLECULAR STRUCTURE. - ISSN 0022-2860. - 1295:(2024), pp. 136640-136647. [10.1016/j.molstruc.2023.136640]
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11381/2982533
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 2
  • ???jsp.display-item.citation.isi??? 2
social impact