AVS 54th International Symposium | |
Surface Science | Tuesday Sessions |
Session SS1-TuM |
Session: | Catalytic Chemistry of Hydrocarbons |
Presenter: | Y. Huang, Carnegie Mellon University |
Authors: | Y. Huang, Carnegie Mellon University A.J. Gellman, Carnegie Mellon University D. Sholl, Carnegie Mellon University |
Correspondent: | Click to Email |
Ethyl groups decompose into ethylene through the β-hydride elimination on Cu(111) and Cu(100) single crystal surfaces. Density Functional Theory calculations for β-hydride elimination of ethyl groups on Cu(111) and Cu(100) have been conducted by Sholl et al. These calculations suggested that hydrogen tunneling influences the kinetics of β-hydride elimination of ethyl groups on Cu(111) but not on Cu(100). Based on the calculations the Deuterium isotope effect in β-hydride elimination of ethyl groups should be greater on Cu(111) than on Cu(100). To verify this temperature programmed desorption (TPD) spectra of ethyl iodide and ethyl-2,2,2-d3 iodide on both Cu(111) and Cu(100) were obtained. The pre-exponential and activation barrier to β-hydride elimination reactions were determined and compared on both Cu(111) and Cu(100) surfaces.