Collaborative Research: Understanding the reactivity of hydrogen atoms in solid parahydrogen

在田纳西诺克斯维尔大学化学系Robert J.Hinde教授和怀俄明大学化学系David T.Anderson教授以及他们的博士后、研究生和本科生研究人员的资助下，该奖项由化学系化学结构、动力学和机理A(CSDM-A)计划资助，旨在了解氢原子与其他分子在超低温固态氢环境中的低温反应活性。他们正在研究这些不寻常的系统中的独特化学，在这些系统中，普通的化学规则不适用。这项研究可能会揭示非陆地系统中发生的化学现象。致力于这一项目的年轻科学家将在实验物理化学和计算化学研究方面接受出色的培训。Hinde和Anderson正在研究氢原子在对氢基质中的有趣的反应性。这些都是超冷环境，量子力学行为的影响可以主导反应性。正在研究的议题包括：(1)研究氢原子反应的温度依赖性，其中一些反应显示出Arrhenius行为，而另一些反应则在低温下表现出突变；(2)确定氢原子的溶剂化能，其中动能和势能之间存在微妙的相互作用，需要采用全量子多体方法；(3)进一步开发红外光谱工具来研究这些体系。所研究的化学体系包括H+H2、H+N2O、H+NO、H+HCN和H+C2H2。在Hinde和Anderson小组工作的学生将分别接受先进计算化学和低温化学物理方面的最先进培训。这两组学生都将受益于与其他组成员的密切互动，从而扩大他们的培训范围。

In this award,funded by the Chemical Structure, Dynamics and Mechanisms A (CSDM-A) Program of the Division of Chemistry Professor Robert J. Hinde of the Department of Chemistry of the University of Tennessee Knoxville and Professor David T. Anderson of the Chemistry Department of the University of Wyoming and their postdoctoral, graduate and undergraduate student researchers are working on a collaborative theoretical and experimental effort to understand the low-temperature reactivity of hydrogen atoms with other molecules in the ultra-cold environment of solid hydrogen. They are investigating the unique chemistry in these unusual systems, where the ordinary rules of chemistry do not apply. This research could shed light on the chemistry that takes place in non-terrestrial systems. Young scientists working on this project will receive excellent training in experimental physical chemistry and computational chemistry research.Prof. Hinde and Anderson are investigating the interesting reactivity of H atoms in para hydrogen matrices. These are ultra-cold environments where the effects of quantum mechanical behavior can dominate the reactivity. Among the topics being investigated are: (1) the study of the temperature dependence of H-atom reactions, where some reactions show Arrhenius behavior while others show abrupt increases at low temperatures; (2) determine H-atom solvation energies, where there is a subtle interplay between kinetic and potential energy contributions and fully-quantum many body methods need to be employed; and (3) the further development of infrared spectroscopic tools for investigating these systems. The chemical systems being studied include H + H2, H + N2O, H + NO, H + HCN, and H + C2H2. Students working in the groups of Hinde and Anderson will receive state-of-the-art training in advanced computational chemistry and low-temperature chemical physics, respectively. Both groups of students will benefit from close interaction with members of the other groups, broadening their training.