Fundamental Studies of the Reaction of Organometallic Precursors with Ozone

化学系的化学结构，动力学和机制计划支持教授布鲁斯S。奥尔特在辛辛那提大学研究有机金属前体与臭氧的反应。本项目是一项实验和理论研究，以提高对臭氧与各种挥发性有机金属前体反应机理的全面理解。这些将包括金属烷基化物、双烯烃、金属羰基化物和金属乙酰丙酮化物络合物。热反应将用于产生初始中间体，这些中间体将通过基质分离在低温下被捕获，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变化。这提供了在引发后的不同时间“停止”反应的手段，并且将允许在反应中捕获不同的中间体。一系列中间体的鉴定将允许反应机理的发展。由于对这些反应知之甚少，对这些反应的进一步了解将有助于开发金属-碳键氧化的途径。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基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。对反应机理的理解应该能够开发更有效的薄膜形成过程。一些年轻的科学家，从早期的本科研究生到博士生将参与这个项目，在那里他们可以接触到化学研究的兴奋。此外，还与辛辛那提大学的妇女参与科学和工程方案建立了密切联系，并将继续协助培养女科学家。

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.