Desulfurization Mechanisms on Sulfido Bimetallic Clusters

这个无机、生物无机和有机金属项目的奖项为密歇根大学化学系的M. David Curtis博士关于脱氢硫化（HDS）催化剂模型配合物反应性的研究提供了持续的支持。该项目的具体目标是确定(1)钼或钨硫化簇的组成、物理和电子结构以及氧化还原特性与它们对有机硫化合物的反应性之间的关系；(2)金属团簇配合物介导的脱硫反应机理；(3)离散簇上的脱硫机理与石油工业中用于燃料升级的多相HDS催化剂上的脱硫机理之间的关系。实现这些目标的实验方法包括新的硫化物双金属簇的合成，它们与有机硫化合物反应的动力学和结构研究，电化学研究以及与实际多相催化剂的比较研究。特别令人感兴趣的是那些由硫化钼催化剂与铁、钴或镍“促进”催化的HDS反应，以及促进剂金属在提高催化剂活性方面所起的作用。加氢脱硫（HDS）是一种用于从有机材料中去除硫的商业过程，因此在制造业和提高工业领域的空气质量方面非常重要。本项目将制备工业催化剂模型化合物，并对其反应性进行研究。对促进剂在脱硫催化剂中的作用机理的了解，可以应用于设计比目前使用的催化剂具有更高活性和选择性的“第二代”加氢处理催化剂。

This award in the Inorganic, Bioinorganic, and Organometallic Program provides continued support for research by Dr. M. David Curtis of the Chemistry Department, University of Michigan, on the reactivity of model complexes for dehydrosulfurization (HDS) catalysts. The specific objectives of the project are to determine (1) how the composition, physical and electronic structure, and redox properties of molybdenum or tungsten sulfide clusters correlate with their reactivity toward organic sulfur compounds; (2) the mechanisms of the desulfurization reactions mediated by the metal cluster complexes; and (3) how the mechanisms of desulfurizations on discrete clusters are related to the mechanisms of desulfurization over the heterogeneous HDS catalysts used in the petroleum industry for fuel upgrading. The experimental approaches to these objectives include the synthesis of new sulfide bimetallic clusters, kinetic and structural studies of their reactions with organic sulfur compounds, electrochemical studies, and comparative studies with actual heterogeneous catalysts. Of particular interest are those HDS reactions catalyzed by molybdenum sulfide catalysts `promoted` with iron, cobalt, or nickel and the role played by the promoter metal in increasing the activity of the catalyst. Hydrodesulfurization (HDS) is a commercial process used to remove sulfur from organic materials and is therefore important in manufacturing and to enhancing air quality in industrial areas. In this project, compounds which are models of the industrial catalyst will be prepared and their reactivity investigated. Knowledge of the mechanistic role of the promoter in desulfurization catalysts can be applied to the design of `second generation` hydrotreating catalysts that possess higher activities and selectivities than those currently in use.