Investigation on the vibrational and structural properties of a self-structured bridged silsesquioxane

Phys Chem Chem Phys. 2012 Apr 28;14(16):5672-9. doi: 10.1039/c2cp40250e. Epub 2012 Mar 16.

Abstract

The crystalline structure of ureidopyrimidinone-based silane (UPY) has been determined. The local and long range order structuring of the bridged silsesquioxane (MUPY) resulting from the sol-gel hydrolysis-condensation of the former precursor has been investigated by MFTIR (Mid Fourier Transform InfraRed) combined with DFT (Density Functional Theory) and XRD (X-ray diffraction) studies. These studies showed that a long range structuring exists within the organic fragments with the transcription of the DDAA (Donor-Donor-Acceptor-Acceptor) H-bonding array from UPY to MUPY whereas a disordered siloxane network was revealed in the hybrid material.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Crystallography, X-Ray
  • Gels / chemistry
  • Hydrolysis
  • Models, Molecular
  • Molecular Structure
  • Organosilicon Compounds / chemistry*
  • Particle Size
  • Quantum Theory
  • Surface Properties
  • Vibration

Substances

  • Gels
  • Organosilicon Compounds