BF3 adsorption on alpha-Cr2O3 (1012): Probing the Lewis basicity of surface oxygen anions

Article Abstract:

BF3, a strong Lewis acid, is used as a probe molecule to interrogate the basicity of well-defined Cr2O3 (1012) surfaces. The heat of adsorption of BF3 shows that terminal chromyl oxygens are stronger Lewis bases than three coordinate oxygen anions on the nearly stoichiometric surface.

Boron & Compounds, Adsorption, Boron compounds

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Ab initio study of magnetic structure and chemical reactivity of Cr2O3 and its (0001) surface

Article Abstract:

The first ab initio density functional theory study of the oxygen-terminated Cr2O3 (0001) surface within the local spin-density approximation (LSDA) is discussed. The preceding results for the bulk crystal establish the critical role of spin in the physics and chemistry of Cr2O3.

Analysis, Usage, Chemical reaction, Rate of, Chemical kinetics, Density functionals, Density functional theory, Magnetic properties

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Dehalogenation of 1,1,2-trichloro-1-fluroethane over alpha-Cr2O3 (1012)

Article Abstract:

The reaction of CFCl2CH2Cl over the stoichiometric Cr2O3 (1012) surface yields CFCl = CH2, HC tripple bond CH, and surface halogen. At elevated temperatures, the thermal removal of surface chlorine is observed, and it is attributed to migration into the sample bulk.

Ethanes, Ethane, Halogenation

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