US-France Cooperative Research: Novel Metallaborane Chemistry: A Combined Experimental and Theoretical Study

[0231792] fehlner这项为期三年的美法化学合作奖涉及圣母大学和雷恩大学的研究人员和学生。美国的Thomas P. Fehlner和法国的Jean-Francois Halet领导了这次合作。他们将研究一类金属硼烷簇的电子结构和反应化学。前者将讨论先进的定性分子轨道理论和电子计数，后者将讨论导致所展示的结构行为的金属性质。在这些研究中，研究人员着重于解释亚电子金属硼烷的化学键。他们认为，高热稳定性，与空气和水的低反应性表明，介于后期过渡金属的金属硼烷和固态金属硼化物之间的新化学物质。法国团队为合作带来了理论专业知识，并将进行大型集群，跨集群键合和其他计算。这与美国在电化学、设计和合成方面的实验专业知识相辅相成。该合作将促进对金属硼烷的键合和结构方面的理解以及新材料的方法。该奖项代表了美国方面对NSF和CNRS的平行提案。美国国家科学基金会将支付美国研究员及其学生的旅费和生活费。CNRS将支持法国研究人员和学生访问美国。

0231792FehlnerThis three-year award for US-France collaboration in chemistry involves researchers and students at the University of Notre Dame and the University of Rennes. Thomas P. Fehlner in the US and Jean-Francois Halet in France lead this collaboration. They will investigate the electronic structure and reaction chemistry of a class of metallaborane clusters. The former will address advanced qualitative molecular orbital theory and electron counting and the latter addresses metal properties responsible for exhibited structural behavior. In these investigations, the researchers focus on explanations of chemical bonding of hypoelectronic metallaboranes. They posit that the high thermal stability, low reactivity with air and water suggest new chemical species that lie somewhere between metallaboranes of later transition metals and solid state metal borides. The French team brings to the collaboration theoretical expertise and will perform large cluster, cross-cluster bonding and other calculations. This is complemented by US experimental expertise in electrochemistry, design and synthesis. The collaboration will advance understanding of the bonding and structural aspects of metallaboranes and approaches for new materials.This award represents the US side of parallel proposals to the NSF and the CNRS. NSF will cover travel funds and living expenses for the US investigator and his students. The CNRS will support visits by French researchers and students to the United States. .