Mechanism and regioselectivity for the reactions of propylene oxide with X(100)-2x1 surfaces (X = C, Si, Ge): A density functional cluster model investigation

Article Abstract:

Density functional cluster model calculations are performed to explore the mechanism and regioselectivity for the reactions of propylene oxide with X(100)-2x1 surfaces (X = C, Si, Ge). It is demonstrated that the reactions of propylene oxide with X(100)-2x1 surfaces (X = C, Si, Ge) are barrierless and highly exothermic, whereas the reaction of propylene oxide with the C(100)-2x1 surface could be kinetically prohibited at room temperature.

Silicon & Inorganic Compounds, Propylene Oxide, Electric properties, Density functionals, Density functional theory, Silicon compounds

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Layered inorganic-organic clay-like nanocomposites rearrange to form silsesquioxanes on acid treatment

Article Abstract:

Talc-like compounds that are formed by the condensation of organotrialkoxy silanes with magnesium hydroxide represent layered hybrid nanomaterials that have a layer thickness of around 1nm, have organic moieties covalently linked to the layer surfaces and are called 'organoclays'. Silsesquioxanes formed by acid treatment of the phenyl-clay comprise a mixture of ladderlike and cagelike structures.

Industrial inorganic chemicals, not elsewhere classified, Silanes, Magnesium Hydroxide, Chemistry, Physical and theoretical, Physical chemistry, Silane

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