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Adsorption induced hydrogen bonding by CH group

Shiwu GaoDepartment of Applied Physics, Chalmers and Göteborg University, SE-412 96 Göteborg, SwedenJae Ryang HahnDepartment of Physics and Astronomy and Department of Chemistry, University of California, Irvine, California 92697-4575W. HoDepartment of Physics and Astronomy and Department of Chemistry, University of California, Irvine, California 92697-4575

2003en

ABI

Annotatsiya

We demonstrate a novel mechanism for hydrogen bond formation with CH group in the bimolecular complexes of adsorbed ethylene (C2H4) and oxygen (O2) molecules on a Ag(110) surface. These complexes were created experimentally by manipulation with a scanning tunneling microscope, and characterized theoretically using ab initio density functional theory calculations. We demonstrate unambiguously that hydrogen bonding between a CH group of ethylene and O2, whose interaction is negligible in the gas phase, has been formed in the adsorbed complexes. This unusual hydrogen bond results from adsorption induced electron transfer to the O2, leading to enhanced electrostatic interaction between the hydrogen and oxygen, and has broad implications in biomolecular and chemical systems.

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Identifikatorlar

DOI: 10.1063/1.1603715

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