The present paper undertakes the study of [C6H16N2O]SbCl5 which is a new hybrid compound. It is synthesized and characterized by single-crystal X-ray diffraction, thermal analysis, IR and solid state NMR spectroscopies. The centrosymmetric compound crystallizes in the monoclinic space group P21/n, with the following unit cell parameters: a = 9.8519(2), b = 8.8345(2), c = 17.3087(4) Å, β = 102.3(1)° and Z = 4. The atomic arrangement shows an alternation of organic and inorganic entities. The cohesion between these entities is performed via N-H⋯Cl and O-H⋯Cl hydrogen bonding to form a three-dimensional network. The 13C CP-MAS NMR spectrum is in agreement with the X-ray structure. Infrared and Raman spectra at room temperature are recorded in the 4000-400 and 500-100 cm-1 frequency regions respectively. This study confirms the presence of the organic cation [C6H16N2]2+ and of the [SbCl5]2- anion. DFT calculations allow the attribution of the carbon peaks to the different atoms.
Synthesis, crystal structure and characterization of a new organic-inorganic hybrid material: [C6H16N2O]SbCl5
FERRETTI, Valeria;
2015
Abstract
The present paper undertakes the study of [C6H16N2O]SbCl5 which is a new hybrid compound. It is synthesized and characterized by single-crystal X-ray diffraction, thermal analysis, IR and solid state NMR spectroscopies. The centrosymmetric compound crystallizes in the monoclinic space group P21/n, with the following unit cell parameters: a = 9.8519(2), b = 8.8345(2), c = 17.3087(4) Å, β = 102.3(1)° and Z = 4. The atomic arrangement shows an alternation of organic and inorganic entities. The cohesion between these entities is performed via N-H⋯Cl and O-H⋯Cl hydrogen bonding to form a three-dimensional network. The 13C CP-MAS NMR spectrum is in agreement with the X-ray structure. Infrared and Raman spectra at room temperature are recorded in the 4000-400 and 500-100 cm-1 frequency regions respectively. This study confirms the presence of the organic cation [C6H16N2]2+ and of the [SbCl5]2- anion. DFT calculations allow the attribution of the carbon peaks to the different atoms.I documenti in SFERA sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
