US-France Cooperative Research: Theoretical Aspects of Unusual Paring of Atoms in Solid State Chemistry

该奖项将支持罗尔德博士和 霍夫曼，康奈尔大学和博士让-伊夫Saillard，大学 Rennes，法国 霍夫曼博士，一位诺贝尔奖赢家， 康奈尔大学是世界上 对分子中的键合感兴趣的领导小组。 赛拉德博士是 杰出的晶体学家和应用理论化学家， 在过去的几年里， 几年 一些元素在分子和分子结构中容易形成键合的双原子对。 扩展的固态结构。 例子是硫（在黄铁矿中， 白硅钙石和许多分子复合物），磷，硼，和 硅。 另一方面，氧和氢的双原子分子 扩展结构中的单元未知（某些过氧化物除外） 和双原子碳实体是罕见的，主要发生在罕见的 地球和锕系结构。 但同样的单位在 离散分子 在这个联合项目中，霍夫曼博士和 塞拉德将从理论上研究稳定化的条件 扩展固体中的双原子氧、碳、氮和氢 国家物资

This award will support collaborative research between Dr. Roald Hoffmann, Cornell University and Dr. Jean-Yves Saillard, University of Rennes, France. Dr. Hoffmann, a Nobel Prize winner in chemistry, has built up at Cornell University one of the world's leading groups interested in bonding in molecules. Dr. Saillard is a distinguished crystallographer and applied theoretical chemist, who has collaborated successfully with Dr. Hoffmann over the last several years. Some elements readily form bonded diatomic pairs in molecular and extended solid state structures. Examples are sulfur (in pyrites, marcasites and many molecular complexes), phosphorus, boron, and silicon. On the other hand, oxygen and hydrogen diatomic molecular units in extended strucures are unknown (except for some peroxides) and diatomic carbon entities are rare, occuring mostly in rare earth and actinide structures. But the same units are known in discrete molecules. In this joint project Drs. Hoffman and Saillard will study theoretically the conditions for stabilizing diatomic oxygen, carbon, nitrogen and hydrogen in extended solid state materials