Crystal structure, Hirshfeld surface analysis, quantum mechanical study and spectroscopic studies of noncentrosymmetric (S)nicotiniumtrichloridozincate monohydrate complex - Université de Lorraine Accéder directement au contenu
Article Dans Une Revue Inorganic Chemistry Communications Année : 2015

Crystal structure, Hirshfeld surface analysis, quantum mechanical study and spectroscopic studies of noncentrosymmetric (S)nicotiniumtrichloridozincate monohydrate complex

Résumé

The chemical preparation, crystal structure and spectroscopic characterization of the novel noncentrosymmetric (S)-nicotiniumtrichloridozincate monohydrate complex have been reported. The atomic arrangement can be described as built up by chains of ZnNCl3 tetrahedra and water molecules, interconnected via O-H…Cl hydrogen bonds. The organic entities are inserted between these chains through C-H…Cl and N-H…Cl hydrogen bonds. The 3D 2 Hirshfeld surfaces and the associated 2D fingerprint plots were investigated for intermolecular interactions. The 13 C and 15 N CP-MAS NMR spectra are in agreement with the X-ray structure. The vibrational absorption bands were identified by infrared spectroscopy. DFT calculations allowed the attribution of the NMR peaks.
Fichier principal
Vignette du fichier
HAL_2015_Soudani_JMS_nicotin.pdf (2.09 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-03580159 , version 1 (18-02-2022)

Identifiants

Citer

S Soudani, V Ferretti, C Jelsch, F Lefebvre, C Ben Nasr. Crystal structure, Hirshfeld surface analysis, quantum mechanical study and spectroscopic studies of noncentrosymmetric (S)nicotiniumtrichloridozincate monohydrate complex. Inorganic Chemistry Communications, 2015, 61, pp.187-192. ⟨10.1016/j.inoche.2015.09.021⟩. ⟨hal-03580159⟩
92 Consultations
30 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More