Reactions of Transition Metal Complexes with Silanes and Oxygen. Chemistry in Molecular Approaches to Silicon-Based Microelectronic Materials

薛子玲博士，美国田纳西大学化学系，由化学学部无机、生物无机和有机金属化学项目资助，研究早期过渡金属-硅烷化学。将硅烷与d0酰亚胺和dn酰亚胺的反应与d0酰亚胺的反应进行比较，以确定金属-酰亚胺键的pi特征和金属-酰胺中的d电子数对sigma键复分解的影响。为了探索亚胺和酰胺所得到的结果的普遍性，研究将扩展到硅烷和早期过渡金属醇氧化物之间的反应。烷氧化物与硅烷的反应和金属硅基配合物与氧的反应将成为金属-硅-氧相的新途径。在与橡树岭国家实验室的科学家合作中，本研究中制备的化合物将被用作化学气相沉积制备硅基微电子材料的前体。在项目的所有阶段，将进行理论计算，以了解新兴的化学。本研究的目的是开发硅基微电子材料的新前体和新途径。本研究的第一部分将发展与硅基微电子材料制备相关的基础化学。然后将开发化学工艺来生产这些先进的微电子材料。这些材料包括在超大规模集成电路（VLSI）器件中用作扩散屏障和高介电常数栅极材料的材料。

Dr. Ziling B. Xue, Chemistry Department, University of Tennessee, is supported by the Inorganic, Bioinorganic, and Organometallic Chemistry Program of the Chemistry Division for studies of early transition metal-silane chemistry. The reactions of silanes with d0 imides and dn amides will be compared with those of d0 amides to determine how the pi character of the metal-imide bond and the d electron count in the metal-amides influence sigma bond metathesis. To explore the generality of the results obtained with the imides and amides, the study will be extended to reactions between silanes and early transition metal alkoxides. Reactions of the alkoxides with silanes and of metal silyl complexes with oxygen will be developed as new routes to metal-silicon-oxygen phases. In collaboration with scientists at Oak Ridge National Laboratory, the compounds prepared in this investigation will be used as precursors to prepare silicon based microelectronic materials by chemical vapor deposition. During all stages of the project theoretical calculations will be carried out in order to understand the emerging chemistry.The objective of the research is to develop the new precursors and routes to silicon-based microelectronic materials. The first portion of this study will develop fundamental chemistry that is relevant to the preparation of silicon based microelectronic materials. Then chemical processes to yield these advanced microelectronic materials will be developed. These materials include those used as diffusion barriers and high dielectric constant gate materials in very-large-scale-integration (VLSI) devices.