Atomic structures of benzene and pyridine on Si(5 5 12)-2 x 1

Article Abstract:

The adsorption structures of benzene and pyridine on Si(5 5 12)-2 x 1 are studied at 80 K by using a low-temperature scanning tunneling microscope and density functional theory (DFT) calculations. Dative bonding configurations with pyridine aromaticity are the dominant adsorption features and are more stable than di-sigma bonding configurations and hence the dative bonding of nitrogen-containing heteroatomic molecules has provided a strategy for the controlled attachment of aromatic molecules to high-index surfaces.

Industrial Organic Chemicals, Petrochemical Manufacturing, Benzene, Pyridine, Analysis, Structure

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Fourier transform Raman and density functional theory studies on the adsorption behavior of p-hydrobenzenoic acid on silver nanoparticles

Article Abstract:

Two models of p-hydroxybenzoic acid (PHBA) adsorbed on the surface of silver nanoparticles were established each of them corresponding to an experimental configuration. The first model is PHBA adsorbed on one Ag atom through the carboxyl group and the second one is PHBA adsorbed on two Ag atoms through the carboxyl and hydroxyl groups.

Cyclic crudes and intermediates, Benzoic Acid, Usage, Carboxyl compounds, Nanoparticles

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