Synthesis, Crystal Structure, and Infrared Spectroscopy of a novel hydronium trihydrate hybrid compound: (C6H22N4)2H9O4CdCl6CdCl5Cl2

Authors

  • Maroua El Glaoui Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte – TUNISIA.
  • Jin-Xiao MI College of Materials, Xiamen University, Xiamen 361005, Fujian Province, People's Republic of China.
  • Pedro Sidonio Pereira da Silva CEMDRX, University of Coimbra, P-3004-516 Coimbra, Portugal.
  • Frédéric Lefebvre Laboratoire de Chimie Organométallique de Surface (LCOMS), Ecole Supérieure de Chimie Physique Electronique, 69622 Villeurbanne Cedex, France.
  • Manuela Ramos Silva CEMDRX, University of Coimbra, P-3004-516 Coimbra, Portugal.
  • Chérif Ben Nasr Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte – TUNISIA.

DOI:

https://doi.org/10.24297/jac.v10i1.5586

Keywords:

X-ray diffraction, Crystal structure, IR spectroscopy, Trihydrated hydronium ion, trigonal pyramidal configuration of [Cl•••H4], DFT calculations

Abstract

A 0-dimensional (0D) hybrid compound, (C6H22N4)2H9O4CdCl6CdCl5Cl2 has been prepared by a facile conventional evaporation method. The crystal packing of discrete constituents of [Cd(1)Cl6] octahedra, [Cd(2)Cl5] trigonal bipyramids, Cl– ions, protonated tris(2-aminoethyl)amine molecules ([(C2H7N)3NH]4+) and H9O4+ ions, is stabilized by diverse hydrogen bonds of N-H···Cl, C-H···Cl and C-H···O. Uncommonly, an isolated chlorine ion (i.e. Cl(4)) is fixed at a special position at 12c(3.) by hydrogen bonds from four surrounding hydrogen atoms at a trigonal pyramidal configuration whereas other chlorine atoms Cl(1), Cl(2) and Cl(3) are stabilized by hydrogen bonds from 2, 2 and 3 hydrogen atoms at bifurcated, linear and trigonal configurations, respectively. The ordered arrangement of [Cl(4) [Cl(4)···H4] trigonal pyramidal configuration upward or downward is responsible for the long c-axis of the title compound. Additionally, a H9O4+ ion is entangled with symmetry restriction and half occupancy. All these features of the title compound add our new knowledge about hydrogen bonds.

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Author Biographies

Jin-Xiao MI, College of Materials, Xiamen University, Xiamen 361005, Fujian Province, People's Republic of China.

Dept. of Materials Science and Engineering

Pedro Sidonio Pereira da Silva, CEMDRX, University of Coimbra, P-3004-516 Coimbra, Portugal.

Department of Physics

Manuela Ramos Silva, CEMDRX, University of Coimbra, P-3004-516 Coimbra, Portugal.

Department of Physics

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Published

2014-05-30

How to Cite

Glaoui, M. E., MI, J.-X., Pereira da Silva, P. S., Lefebvre, F., Silva, M. R., & Nasr, C. B. (2014). Synthesis, Crystal Structure, and Infrared Spectroscopy of a novel hydronium trihydrate hybrid compound: (C6H22N4)2H9O4CdCl6CdCl5Cl2. JOURNAL OF ADVANCES IN CHEMISTRY, 10(1), 2107–2117. https://doi.org/10.24297/jac.v10i1.5586

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