Using surface spectroscopy to help Interpret STM images of chemisorbed molecules : application to the study of the hydrogenation of ketones and a-ketoesters on Pt

Authors: Zeng, Yang
Advisor: McBreen, Peter Hugh
Abstract: Since high enantiopurity is required in the pharmaceutical industry, studies aimed at discovering the mechanisms for the enantioselective hydrogenation of ketones or keto-esters on surfaces and at successfully seeking out new or better performing asymmetric catalysts are of great significance. Scanning tunneling microscopy (STM), reflection absorption infrared spectroscopy (RAIRS), temperature-programmed desorption spectroscopy (TPD) and X-ray photoelectron spectroscopy (XPS) are powerful methods to facilitate an understanding of the reaction mechanisms. In addition to insight on reaction mechanisms, the studies can contribute information on reaction dynamics in heterogeneous catalysis and on the development of density functional theory (DFT) methods to compute weak interactions in surface processes. In turn, DFT calculations provide critical help in the interpretation of STM and surface spectroscopy data. In this thesis, some ketones and keto-esters on platinum surface are studied by the above mentioned sophisticated techniques. My studies demonstrate that the combination of using routine spectroscopy, nanotechnology, and state of the art calculations is an effective method to study reactions on surface as they explore different aspect of surface, and mutually help each other for some interpretations.
Document Type: Mémoire de maîtrise
Issue Date: 2015
Open Access Date: 24 April 2018
Permalink: http://hdl.handle.net/20.500.11794/26793
Grantor: Université Laval
Collection:Thèses et mémoires

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