An incoherent inelastic neutron scattering investigation of the vibrational spectrum of phenyl-modified (C6H5-) mesoporous silica and its variations in the presence of sorbed benzene (C6H6) and of sorbed deuteriobenzene (C6D6)

Slade, R.C.T.; Bambrough, C.M. and Williams, R.T. (2002). An incoherent inelastic neutron scattering investigation of the vibrational spectrum of phenyl-modified (C6H5-) mesoporous silica and its variations in the presence of sorbed benzene (C6H6) and of sorbed deuteriobenzene (C6D6). Physical Chemistry Chemical Physics, 4(21) pp. 5394–5399.

DOI: https://doi.org/10.1039/b203531f

Abstract

Mesoporous phenyl-modified silica has been prepared by a co-condensation method and has been characterised via infrared and nuclear magnetic resonance (Si-29, C-13) spectroscopies and thermal analysis (TG/DTA). Incoherent inelastic neutron scattering (IINS) at T = 10 K has been used to record vibrational spectra dominated by modes involving motion of hydrogen (H-1) for h(6)-benzene (C6H6) and for phenyl-modified silica (a) outgassed, (b) with an adsorbed monolayer of h(6)-benzene, (c) with an adsorbed monolayer of d(6)-benzene (C6D6) and (d) saturated with h(6)-benzene. Spectral features are assigned and discussed in terms of modes of H-containing Si-attached phenyl groups and benzene molecules in a range of environments. The modes of the phenyl rings are essentially unchanged in the presence of a monolayer. The structural arrangement of pore-filling benzene molecules differs from that in bulk benzene, this being evident in spectral differences.

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