The Journal of Chemical Physics · 2018 · 22 citations · 32 references
Natural SciencesChemical EngineeringChemistryCatalysisQuantum ChemistrySpectroscopyAb Initio MethodsCatalytic MaterialsCatalytic Reaction EngineeringAb Initio CalculationsAb Initio Molecular CalculationsAcid CatalysisCarbon Dioxide FormationFourier TransformLow-energy Electron BeamsLow-energy Electron SpectroscopyQuantum Chemistry Of Catalysis
Low energy electrons can initiate and control chemical reactions through resonant attachment forming an electron-molecule compound state. Recently, it has been theoretically shown that free electrons can also act as catalysts in chemical reactions. We investigate this novel concept for the case of conversion of formic acid into CO2. Resonant production of CO2 from cold formic acid films by low energy electron impact is observed using Fourier transform infrared spectroscopy. The resonant peak observed at 6 eV is identified as the catalytic electron channel. The experimental results are augmented with the ab initio quantum chemical calculations.
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General atomic and molecular electronic structure system
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations
Natural Sciences, Chemistry, Physics +17
Selectivity in vibrationally mediated single-molecule chemistry
José Ignacio Pascual, Nicolás Lorente, Zhen Song et al. · Nature · 2003 · 339 citations
Natural Sciences, Chemistry, Physics +12