DFT, X-Ray cristallography and NMR analysis of new β-phosphonated thiosemicarbazones crystals - Archive ouverte HAL Accéder directement au contenu
Poster De Conférence Année : 2023

DFT, X-Ray cristallography and NMR analysis of new β-phosphonated thiosemicarbazones crystals

Résumé

Thiosemicarbazone compounds and their metal complexes exhibit noteworthy antiviral, antituberculous, antibacterial, and antitumor properties. Consequently, the synthesis of novel thiosemicarbazone ligands holds both theoretical and practical importance. In this context, several phosphonated thiosemicarbazone ligands were synthesized by combining β-phosphonated hydrazones with organic isothiocyanates, as outlined in Scheme 1. All the synthesized products were structurally characterized using NMR spectroscopy, X-ray crystallography and DFT computing. An analysis of the crystal structures reveals the occurrence of intra- and intermolecular hydrogen bonding.

Domaines

Chimie
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Dates et versions

hal-04532452 , version 1 (04-04-2024)

Identifiants

  • HAL Id : hal-04532452 , version 1

Citer

Sirine Salhi, Dorra Kanzari-Mnallah, Isabelle Jourdain, Michael Knorr, Carsten Strohmann, et al.. DFT, X-Ray cristallography and NMR analysis of new β-phosphonated thiosemicarbazones crystals. 9th Solid Chemistry Conference SCC 2023, Dec 2023, Sousse, Tunisia. . ⟨hal-04532452⟩
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