Kinetic parameters of hydrogen-elimination mediated branched alkyl desorption from Si(100)-2x1 were studied using temperature programmed desorption mass spectrometry (TPDMS). Experimental work was also accompanied by computational modeling. Branched haloalkanes predictably react with the surface to form the corresponding surface alkyl products through the cleavage of the C-X bond (X=halogen). Mass spectrometry was used to monitor desorbing products which form as a result of hydrogen elimination reaction channels. Desorption energy and pre-exponential factor kinetic parameters for the hydrogen elimination channels were measured using different kinetic models, including the Redhead analysis and the complete method by direct application of the Polanyi-Wigner equation. Values for the kinetic parameters are compared between branched alkyls having varying ratios of ato �hydrogens available for elimination. Experimental results were compared to electronic structure calculations based on conventional transition state theory for varying surface coverage and hydrogen transfer sites. General structure-activity trends for the thermal decomposition of branched alkyls with respect to the hydrogen elimination desorption channels on the silicon surface will be discussed.

Desorption kinetics of branched alkyls through hydrogen elimination pathways on Si(100)-2x1

248th National Meeting (2014)

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