Stability and Bonding in Metal, Carbon, and Semiconductor Clusters

金属、碳和半导体簇的稳定性和键合

• 批准号: 9117752
• 负责人: Karl Gingerich
• 金额: $ 18.6万
• 依托单位: Texas A&M Research Foundation
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1992
• 资助国家: 美国
• 起止时间: 1992-01-01 至 1995-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9117752&HistoricalAwards=false
• 关键词: Stability; Bonding; Metal; Carbon; Semiconductor

Professor Gingerich is supported by a grant from the Theoretical and Computational Chemistry Program to study the thermodynamic stabilities of metal, carbon, and semiconductor clusters. Thermodynamic properties of small inorganic clusters will be determined from high temperature equilibrium measurements with a Knudsen effusion cell mass spectrometer. Systems studied will include diatomic transition metals, carbides and nitrides, and clusters of metals, carbon, silicon, germanium and inter-group IV compounds. Bond energies and enthalpies of formation will be derived from the measured reaction enthalpies. For selected molecules the equilibrium measurements will be complemented by theoretical calculations and matrix isolation spectroscopic investigations in order to elucidate the molecular structure and nature of bonding. %%% The proposed investigations will provide much needed fundamental knowledge for refractory materials of applied interest. It is expected that the results obtained from this research will aid the finding of new materials with improved technological properties.

Gingerich教授得到了理论和计算化学计划的赠款，该计划研究金属，碳和半导体簇的热力学稳定性。 小型无机簇的热力学性质将从用Knudsen积液细胞质谱仪的高温平衡测量来确定。 所研究的系统将包括双原子过渡金属，碳化物和氮化物以及金属，碳，硅，锗和组间IV化合物的簇。 形成的键能和焓将源自测量的反应焓。 对于选定的分子，将通过理论计算和基质分离光谱研究来补充平衡测量值，以阐明键合的分子结构和性质。 %% %%拟议的调查将为应用感兴趣的难治性材料提供急需的基本知识。 预计从这项研究获得的结果将有助于发现具有改进技术特性的新材料。