Abstract
Recent density functional theory (DFT) calculations of the activation energy for the conversion of ethylene to ethylidyne on Pd(111) (Moskaleva, L. V.; Chen, Z.-X.; Aleksandrov, H. A.; Mohammed, A. B.; Sun, Q.; Rosch, N. J. Phys. Chem. C 2009, 113, 2515) predicted an activation barrier with respect to gas-phase ethylene of ∼46 kJ/mol, substantially lower than the results of previous DFT calculations. Thus, the kinetics of formation of ethylidyne from ethylene on Pd(111) are measured as a function of sample temperature using reflection−absorption infrared spectroscopy to monitor the ethylidyne coverage as a function of time. The results yield an experimental value of the height of the activation barrier with respect to gas-phase ethylene of 49 ± 5 kJ/mol, in good agreement with the results of the DFT calculations. The agreement between experiment and theory indicates that the proposed ethylidyne formation pathway involving an initial, rate-limiting ethylene dehydrogenation step to form vinyl species that f...
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
