Understanding why the chemistry of Beryllium is different

在这项由化学系化学结构、动力学和机制计划资助的奖项中，埃默里大学的迈克尔·C·海文教授和他的研究小组研究了铍的异常成键机制。这种元素及其化合物表现出独特的性质。例如，铍合金因其优异的强度重量比而被用作轻质结构材料。这种金属的非凡耐用性反映在它被用作聚变反应堆中的面向等离子体的材料的事实上。由于铍的毒性，人们对其化学研究还不够深入。为了解决这个问题，人们对铍及其化合物进行了大量的理论研究。然而，铍对许多计算技术提出了严峻的挑战。遇到的困难与不寻常的粘合特性直接相关。目前，缺乏评估铍的量子化学模型所需的实验数据。这一验证是建立对用于识别具有有价值的物理和化学特性的化合物的计算方法的信心所必需的。原型铍化合物的实验研究是该计划的主要目标。光谱技术，应用于气相分子和离子，用来获得结构和热力学性质。之所以选择所研究的氧化物、氢氧化物和碳化物，是因为它们是高水平理论研究的对象。这项研究为研究生和本科生以及博士后助理提供了先进的实验和理论方法方面的丰富经验。与斯佩尔曼学院的成功合作，为一所历史悠久的黑人女子学院的学生提供了研究机会，这一合作仍在继续。

In this award, funded by the Chemical Structure, Dynamics and Mechanisms Program of the Chemistry Division, Prof. Michael C. Heaven of Emory University and his research group investigate the unusual bonding mechanisms of beryllium. This element and its compounds exhibit unique properties. For example, beryllium alloys are used as lightweight structural materials due to their exceptional strength to weight ratios. The remarkable durability of the metal is reflected by the fact that it is used as a plasma facing material in fusion reactors. The chemistry of beryllium is underexplored due to its toxicity. To circumvent this problem, there have been many theoretical studies of beryllium and its compounds. However, beryllium poses a severe challenge for many computational techniques. The difficulties encountered are directly related to the unusual bonding characteristics. At present, the experimental data needed to evaluate quantum chemical models for beryllium are lacking. This validation is needed to establish confidence in the computational methods used to identify compounds with valuable physical and chemical properties. Experimental studies of prototypical beryllium compounds are the primary objectives of this program. Spectroscopic techniques, applied to gas phase molecules and ions, are used to obtain structural and thermodynamic properties. The species examined, oxides, hydroxides and carbides, are chosen because they have been the subjects of high-level theoretical investigations. The research provides the graduate and undergraduate students, and post-doctoral associates involved with a rich experience in advanced experimental and theoretical methods. A successful collaboration with Spelman College, that provides research opportunities to students from a historically Black women's college, continues.