Inhomogeneous distribution and collective diffusion of solution molecules in the nanochannel of mesoporous silica

Article Abstract:

(super 13)C NMR spectra are observed for the mixed solutions composed of 2-propanol and cyclohexanes in contact with mesoporous silica, MCM-41to study the distribution and dynamics of the molecules in the nanochannel of MCM-41. It was deduced from the analysis that a high concentration gradient exists in the radial distribution of these liquid molecules in the nanochannel: Alcohol molecules prefer the region near the surface and cyclohexane molecules the central portion of the nanochannel.

Usage, Observations, Composition, Nuclear magnetic resonance spectroscopy, Spectra (Spectroscopy)

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DFT investigation of product distribution following reaction of 1,3-cyclohexadiene on the Si(100)-2x1 surface

Article Abstract:

The density functional theory (DFT) is used to study different possible bonding geometries of 1,3-cyclohexadiene (1,3-CHD) on the Si(100)-2x1 surface and to compare these results with the STM experiments. The results obtained are analyzed in terms of the total energy values and the detailed optimized geometries.

Science & research, Research, Density functionals, Density functional theory, Properties

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Thermal-cycling-induced spectral diffusion and thermal barriers in anisole-doped cyclohexane, an unusual multiphase host-guest system

Article Abstract:

The host-guest system of anisole incorporated into a cyclohexane matrix was investigated in a series of hole-burning experiments. The hole-burning experiments support the existence of two crystalline phases and one disordered phase.

Analysis, Spectral energy distribution

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