Synthesis, structural characterisations, NMR spectroscopy, Hirshfeld surface analysis and electrochemical study of a new organic cyclohexaphosphate, (C 6 H 7 FN) 4 (Li) 2 (P 6 O 18 ) (H 2 O) 6 - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Molecular Structure Année : 2018

Synthesis, structural characterisations, NMR spectroscopy, Hirshfeld surface analysis and electrochemical study of a new organic cyclohexaphosphate, (C 6 H 7 FN) 4 (Li) 2 (P 6 O 18 ) (H 2 O) 6

Résumé

(C6H7FN)4(Li)2(P6O18) (H2O)6 (I), a new organic cyclohexaphosphate, has been synthesized and grown at room temperature by an acid/base reaction between H6P6O18 and 2-fluoroaniline as an organic template. The crystal structure of (I) was solved by single crystal X-ray diffraction analysis and it was found that the material belongs to triclinic system with space group P-1 and refined R-factor of 0.0520. Adjacent P6O18 rings are connected via corner-sharing by LiO4 tetrahedra, generating anionic [Li2P6O18·H2O]4- layers parallel to the (a, b) plane. The 2-fluoro-anilinium cations are inserted in the interlayer space and interact with the inorganic framework through Nsingle bondH⋯O and Osingle bondH⋯O hydrogen-bonding interactions. Additional stabilization is provided by strong Nsingle bondH⋯F and weak Csingle bondH⋯O hydrogen bonds. Hirshfeld surface analysis reveals the nature of intermolecular contacts of the title compound and their enrichment ratio reveals if they are over-represented. The crystal packing is a combination of strong electrostatic attractive interactions and of weaker hydrophobic contacts. The title compound was further characterized by FT-IR and NMR spectroscopies. Crystal symmetry is confirmed by 31P magic angle spinning NMR and the vibrational absorption bands were identified by infrared spectroscopy. Electrical conductivity was studied using impedance spectroscopy and results showed that the conductivity at 150 °C was equal to 4.93 × 10−4 S cm−1. It is therefore concluded that (C6H7FN)4(Li)2(P6O18) (H2O)6 can be further used in lithium batteries.
Fichier principal
Vignette du fichier
HAL_2018_Hamdi_JMS_LiPhosph.pdf (1.6 Mo) Télécharger le fichier
Origine Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-02365367 , version 1 (16-02-2022)

Identifiants

Citer

A. Hamdi, L. Khedhiri, M. Kahlaoui, S. Soudani, V. Ferretti, et al.. Synthesis, structural characterisations, NMR spectroscopy, Hirshfeld surface analysis and electrochemical study of a new organic cyclohexaphosphate, (C 6 H 7 FN) 4 (Li) 2 (P 6 O 18 ) (H 2 O) 6. Journal of Molecular Structure, 2018, 1170, pp.30-37. ⟨10.1016/j.molstruc.2018.05.062⟩. ⟨hal-02365367⟩
24 Consultations
25 Téléchargements

Altmetric

Partager

Gmail Mastodon Facebook X LinkedIn More