Fundamental Studies of the Reaction of Organometallic Precursors with Ozone

化学系的化学结构、动力学和机理计划支持辛辛那提大学的Bruce S.Ault教授研究金属有机前体与臭氧的反应。该项目是一项实验和理论研究，旨在加强对臭氧与各种挥发性有机金属前体的反应机理的全面了解。这些化合物包括金属烷基、茂金属、金属羰基和金属乙酰丙酮络合物。热反应将被用来产生初始中间体，这些中间体将被基质隔离在低温下捕获，并通过光谱和理论技术进行表征。通过采用几种沉积技术，提供给初始反应物的反应时间和热能将以系统的方式改变。这提供了一种在启动后的不同时间‘停止’反应的方法，并将允许在反应中捕获不同的中间体。对中间体序列的鉴定将有助于反应机理的发展。由于对这些反应知之甚少，了解的增加将有助于开发氧化金属-碳键的途径。近年来，臭氧与挥发性有机金属前体的反应已被用于在各种衬底上形成金属氧化物薄膜。这些薄膜的应用范围从太阳能转换到微电子工业。对反应机理的了解应该能够开发出更有效的薄膜形成过程。许多年轻的科学家，从早期的本科生到博士生，都将参与这个项目，在这个项目中，他们可以接触到化学研究的兴奋。此外，与辛辛那提大学的妇女科学与工程(WISE)方案建立了强有力的联系，并将继续协助女科学家的发展。

The Chemical Structure, Dynamics and Mechanisms Program of the Chemistry Division supports Professor Bruce S. Ault at the University of Cincinnati for studies of the reactions of organometallic precursors with ozone. This project is an experimental and theoretical study to enhance the overall understanding of the reaction mechanisms of ozone with a wide range of volatile organometallic precursors. These will include metal alkyls, metallocenes, metal carbonyls and metal acetylacetonate complexes. Thermal reactions will be used to generate initial intermediates, which will be trapped at low temperature by matrix isolation and characterized by spectroscopic and theoretical techniques. By employing several deposition techniques, the reaction time and thermal energy provided to the initial reactants will be varied in a systematic way. This provides a means to 'stop' the reaction at varying times after initiation, and will permit the trapping of different intermediates in the reactions. The identification of a sequence of intermediates will permit the development of a reaction mechanism. Since, very little is known about these reactions, an increased understanding will allow the development of routes to the oxidation of the metal-carbon bonds.The reaction of ozone with volatile organometallic precursors has been used in recent years for the formation of metal oxide thin films on a variety of substrates. These thin films have applications ranging from solar energy conversion to the microelectronics industry. Understanding of the reaction mechanisms should enable the development of more effective thin film formation processes. A number of younger scientists, from early undergraduate research students through doctoral students will be engaged in this project where they can gain exposure to the excitement of research in chemistry. In addition, a strong linkage to the Women in Science and Engineering (WISE) program at the University of Cincinnati is in place, and will continue to assist in the development of female scientists.