Chemisorption of CO at Strongly Basic Sites of MgO Solid: A Theoretical Study

Article Abstract:

The adsorption and adsorption-induced dimerization and trimerization of CO over the low-coordinated oxygen anions of MbO solid is explored by the hybrid B3LYP density functional method together with cluster models. The findings suggest that the dimeric adspecies are unlikely to be stable adspecies, but may be the intermediates for the formation of higher oligomeric adspecies of CO.

Cobalt, Anions

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The [2+1] cycloadditions of dichlorocarbene, silylene, germylene, and oxycarbonylnitrene onto the sidewall of armchair (5,5) single-wall carbon nanotube

Article Abstract:

An exploration of the reaction pathway and site selectivity or the [2+1] cycloadditions of dicholorocarbene and oxycarbonylnitrene onto the sidewalls of single-wall nanotube (SWNTs) is carried out. In addition, it is predicted that whether such [2+1] cycloaddition chemistry can be extended to other reactants, such as silylenes and germylenes, on the sidewalls of SWNTs.

Chemical reactions, Ring formation (Chemistry), Cyclization (Chemistry), Carbides

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Producing reactive species on Si(100), Ge(100), and Si(111) surfaces by attachments of diacetylenes

Article Abstract:

Theoretical predictions on the selectivities and mechanisms for the attachments of diacetylene on Si(100)-2 * 1, Ge(100)-2 *1, and Si(111)-7 *7 surfaces are provided. It is shown that the adsorption of diacetylene gives rise to enynic adspecies on Si(100)-2 * 1, [3]cumulenic adspecies on Si(111)-7 * 7, and both [3]cumulenic and enynic adspecies on Ge(100)-2 * 1.

Industrial sand, Silica & Silica Sand, Industrial Sand Mining, Germanium, Silica, Acetylene, Silicon dioxide

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