Requirements for the formation of a chiral template
Article Abstract:
The chemisorptive enantioselectivity of propylene oxide is examined on Pd(111) surfaces templated by chiral 2-methylbutanoate and 2-aminobutanoate species, it is found previously that chiral propylene oxide is chemisorbed enantionspecifically onto Pd(111) surfaces modified by either (R)-or (S)-2-butoxide. It is postulated that the role of the amino group in 2-aminobutanoate species is to anchor the chiral group to the surface to inhibit azimuthal rotation.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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First-principles study of K and Cs adsorbed on Pd(111)
Article Abstract:
The adsorptions of K and Cs on Pd(111) are studied by the density functional theory (DFT) calculations within the generalized gradient approximation. The results have shown that the bonding of alkali metal with the Pd(111) surface has a mixed ionic and metallic bond character at low coverage and a metallic bond of covalent character at high coverage.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Mixed aromatic-alkyne system on a Pd surface: A first-principles study
Article Abstract:
Mixed aromatic-alkyne molecules on metal surfaces are chemically interesting and could have many potential industrial applications. One obvious application is removing chemical radicals from catalyst surfaces and storing them in the unsaturated bonds of the alkyne part, while the aromatic part keeps the whole molecule bound to the catalyst surface.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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