title: Structural, vibrational and DSC investigations of the bis-4-benzyl piperidinium tetraoxoselenate monohydrate crystal.
abstract: A new organic-inorganic salt, bis-4-benzyl piperidinium tetraoxoselenate monohydrate has been synthesized and characterized by X-ray diffraction, FT-IR and FT-Raman spectroscopies. The title compound crystallizes in the monoclinic system P2(1)/c at room temperature with the following parameters: a=8.617(3)Å, b=27.140(9)Å, c=10.926(5)Å, β=96.46(4)° and Z=4. Its vibrational spectra have been discussed on the basis on quantum chemical density theory (DFT) calculation using B3LYP/6-31G(*) approach. The role of the intermolecular interaction in this crystal is analyzed. Acidic protons of the selenate group were transferred to the organic cation giving the singly-protonated cation. The ability of ions to form spontaneous three-dimensional structure through O-H···O and N-H···O hydrogen bond is fully utilized. These hydrogen bonds give notable vibrational effects.
authors.affiliation: Laboratoire de l'Etat Solide, Faculté des Sciences de Sfax, BP. N° 1171, 3000 Sfax, Tunisia. yassmin.kessentini@yahoo.com
authors.forename: Y
authors.initials: Y
authors.lastname: Kessentini
authors.forename: A
authors.initials: A
authors.lastname: Ben Ahmed
authors.forename: Z
authors.initials: Z
authors.lastname: Elaoud
authors.forename: S S
authors.initials: SS
authors.lastname: Aljuaid
authors.forename: T
authors.initials: T
authors.lastname: Mhiri
mesh_terms: D002152:Calorimetry, Differential Scanning; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008958:Models, Molecular; D010880:Piperidines / Q000138:chemical synthesis / Q000737:chemistry*; D018036:Selenium Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D013059:Spectrum Analysis, Raman
chemical_list: D010880:Piperidines; D018036:Selenium Compounds