The unique bonding characteristics of beryllium and the Group IIA metals

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Michael C.Heaven教授和他的研究小组将研究(1)含有3-30Be原子的铍原子团簇，(2)含有M=Mg和Ca的超金属MoM，(3)碱土碳化物，以及(4)双原子离子CaO+，BaO+和BaL+中的异常成键机制。这些团簇和分子已经成为众多理论研究的对象，但缺乏实验数据。最终目标是更好地理解传统模型中不能很好描述的不寻常的成键模式，并促进我们对团簇从几个原子尺寸增长到接近大块金属行为的大系统时成键的理解。此外，碳化物MGC和CAC的研究将对天体物理界有价值，而分子离子CaO+、BaO+和BaC+的工作将推进旨在产生和操纵用于量子计算等应用的超冷(MK)分子的研究计划。将使用各种实验工具，包括阴离子光分离、激光诱导荧光、共振增强多光子电离和腔衰荡光谱。这些研究的结果将有助于化学家对成键有更深入的理解，包括传统模型以及本研究的主题之一--不寻常的相互作用。这项研究将为研究生和本科生以及博士后助理提供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将继续下去，为一所历史悠久的黑人女子学院的学生提供研究机会。

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 will investigate unusual bonding mechanisms in (1) beryllium clusters containing 3 - 30 Be atoms, (2) hypermetallic MOM with M=Mg and Ca; (3) alkaline earth carbides; and (4) the diatomic ions CaO+, BaO+ and BaCl+. These clusters and molecules have been the subject of numerous theoretical investigations, but experimental data are lacking. The ultimate goal is to develop a better understanding of the unusual modes of bonding that are not well-characterized in terms of conventional models, and to advance our understanding of bonding when clusters grow from a few atoms in size to large systems that approach bulk metal behavior. In addition, the studies of the carbides MgC and CaC will be of value to the astrophysical community, while work on the molecular ions CaO+, BaO+ and BaCl+ will advance research programs where the aim is to generate and manipulate ultra-cold (mK) molecules for applications such as quantum computing. A variety of experimental tools will be employed, including anion photodetachment, laser-induced fluorescence, resonance-enhanced multiphoton ionization, and cavity ring-down spectroscopy. The results from these studies will help chemists to develop a deeper understanding of bonding that encompasses the traditional models as well as the unusual interactions that are one of the themes of the present study. The research will provide 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, will be continued.