9421727 Jones University of Rochester Dr. William D. Jones, Chemistry Department, University of Rochester, is supported by the Inorganic, Bioinorganic, and Organometallic Chemistry Program of the Chemistry Division to explore the mechanistic pathways for the hydrodesulfurization of thiophene and related sulfur containing derivatives. The studies will involve physical organometallic experiments designed to probe the nature of the carbon-sulfur bond breaking step. The structures of intermediates that are involved will be elucidated and the kinetic and thermodynamic parameters that control the reactivity and selectivity will be determined. New complexes will be examined that not only break C-S bonds, but also have the potential to do further chemistry resulting in the total elimination of sulfur from the organic portion of the molecule. Substituted dibenzothiopenes will be examined in some detail, these compounds prove the most difficult to desulfurize. Several binuclear metal systems will be assessed for HDS activity. The refining of petroleum is one of largest scale chemical processes being carried out in the world today. The removal of sulfur, a minor constituent in all crude oils which is converted to environmenally harmful sulfur dioxide during combustion, is an important step (called hydrodesulfurization or HDS) in the refining procedure. While a great deal of work has been done in trying to understand the salient features of the HDS process, many questions remain to be answered. In the project the details of how metal species interact with the sulfur containing compounds found in crude oil will be investigated. This will provide the background information needed to improve the design of the industrial process and to obtain new more efficient catalysts for sulfur removal.
