Structural, NMR, IR, Hirshfeld surface, electrochemical and in vitro biochemical investigations of a new organic cyclohe
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ORIGINAL PAPER
Structural, NMR, IR, Hirshfeld surface, electrochemical and in vitro biochemical investigations of a new organic cyclohexaphosphate, (C6H6ClFN)4 (Li)2(P6O18)(H2O)4 L. Khedhiri1 · A. Gannouni1 · M. Kahlaoui2 · C. Jelsch3 · V. Ferretti4 · F. Lefebvre5 · C. Ben Nasr1 Received: 29 January 2020 / Accepted: 29 September 2020 © Iranian Chemical Society 2020
Abstract The new organic cyclohexaphosphate ( C6H7ClFN)4 (Li)2(P6O18)(H2O)4, has been synthesized at room temperature by an acid/ base reaction between H6P6O18 and 3-chloro-4-fluoroaniline as an organic template. The crystal structure of (C6H7ClFN)4 (Li)2(P6O18)(H2O)4 was solved by single crystal X-ray diffraction analysis. A double head-to-head layer of cations is formed by hydrophobic interactions. Hirshfeld surface analysis reveals the nature of intermolecular contacts of the title compound. The contacts enrichment ratio shows that both strong electrostatic interactions and hydrophobic contacts are overrepresented. This hybrid material was then characterized by 1H, 13C, 31P, 15N and 19F solid-state NMR and IR spectroscopies. Electrical conductivity was also studied using impedance spectroscopy and results showed that the conductivity at 105 °C was equal to 96.5 × 10−4 S.cm−1. Antioxidant properties of this compound were studied, in vitro, at various concentrations with different tests; 1,1-diphenyl-2-picrylhydrazyl (DPPH), ferric reducing power (FRAP), Trolox equivalent antioxidant capacity (TEAC) or ABTS+, using 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid (Trolox) as control. Keywords Cyclohexaphosphate · Hirshfeld surface · Contacts enrichment · 31P MAS NMR · Infrared spectroscopy · Electrical conductivity · Antioxidant properties
Introduction
Electronic supplementary material The online version of this article (https://doi.org/10.1007/s13738-020-02078-8) contains supplementary material, which is available to authorized users. * C. Ben Nasr [email protected] 1
Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, Université de Carthage, 7021 Zarzouna, Tunisia
2
Common Service Unit Surface Spectrometer, Faculty of Sciences of Bizerte, University of Carthage, 7021 Zarzouna, Tunisia
3
CRM2, CNRS, Institut Jean Barriol, Université de Lorraine, Vandoeuvre les Nancy Cedex, France
4
Department of Chemical and Pharmaceutical Sciences, Center for Structural Diffractometry, via Fossato di Mortara 17, 44121 Ferrara, Italy
5
Laboratoire de Chimie Organométallique de Surface (LCOMS), Ecole Supérieure de Chimie Physique Electronique, 69626 Villeurbanne Cedex, France
Organic–inorganic compounds have been studied extensively in recent years owing to their interesting properties by the inclusion of both the inorganic and organic components into a product. These compounds have attracted great attention because of their unique opportunity to combine the remarkable features of organic compounds with those of inorganic materials. Hybrid materials based on phosphates have received much attention in rec
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