Untangling the Energetics and Dynamics of Reactions of Ground State Silylidyne Radicals with Hydrocarbon Molecules

有了这个更新奖，化学系的化学结构，动力学和机制A计划（CSDM-A）支持教授拉尔夫我。夏威夷大学的Kaiser博士参与了一个项目，该项目将研究双原子硅物种与碳氢化合物分子反应的机制和能量学。这些实验将通过交叉气相反应分子的光束并使它们相互作用来进行。实验将与复杂的计算研究相结合，为这些反应提供机械和热力学数据。由于含有硅的分子是星际环境的重要组成部分，我们对天体化学的理解预计将从这个项目中取得重大进展。在这些研究方面，首席研究员将组织星际和气相化学专题讨论会。拟议的研究将调查的能量，动力学和势能面的双原子自由基，硅烷（SiH），与烃分子采用交叉分子束实验。从这些实验中得到的数据将结合从头算和准经典轨道（QCT）计算，以确定反应机制，产品和中间体的结构和热力学在广泛的碰撞能量。这些研究将使化学动力学的硅烷自由基（SiH）与那些的等电子次甲基自由基（CH）的比较。

With this renewal award, the Chemical Structure, Dynamics and Mechanisms A Program (CSDM-A) of the Division of Chemistry supports Professor Ralf I. Kaiser of the University of Hawaii in a project that will investigate the mechanism and energetics of the reactions of a diatomic silicon species with hydrocarbon molecules. These experiments will be carried out by crossing beams of the reacting molecules in the gas phase and allowing them to interact. Experiments will be combined with sophisticated computational studies to provide mechanistic and thermodynamic data for these reactions. Since molecules containing silicon are important components of the interstellar environment, significant advances in our understanding of astrochemistry are predicted to result from this project. In connection with these studies, the principal investigator will organize symposia on interstellar and gas phase chemistry. The proposed research will investigate the energetics, dynamics, and potential energy surfaces of the diatomic radical, silylidyne (SiH), with hydrocarbon molecules employing crossed molecular beam experiments. The data resulting from these experiments will be combined with ab initio and quasi classical trajectory (QCT) calculations to determine reaction mechanisms, the structure of products and intermediates and thermodynamics over a broad range of collision energies. These studies will enable a comparison of the chemical dynamics of the silylidyne radical (SiH) with those of the isoelectronic methylidyne radical (CH).