Untangling the Energetics and Dynamics of Reactions of Ground State Silicon Atoms with Small Hydrocarbon Radicals

University Of Hawaii, Honolulu

Investigators

Abstract

In this award, funded by the Chemical Structure, Dynamics and Mechanisms Program of the Division of Chemistry, Professor Kaiser of the University of Hawaii at Manoa and his graduate students will untangle the energetics, dynamics, and potential energy surfaces (PESs) involved in the formation of small organo silicon molecules. To achieve these goals, Professor Kaiser and his colleagues will investigate the energy-dependent chemical reaction dynamics of ground state silicon atoms with small hydrocarbon radicals under single collision conditions in a hydrocarbon-free, crossed molecular beam machine. This setup incorporates a universal, rotatable angular resolved time-of-flight mass spectrometric detector with hard and soft electron impact ionization as well as laser induced fluorescence (LIF) detection. By conducting these crossed molecular beam experiments and combining the results with ab initio and quasi classical trajectory (QCT) calculations in collaboration with Professor Head-Gordon (UC Berkeley), the chemical dynamics, reaction mechanisms, products, intermediates, energetics, branching ratios, and enthalpies of formation of small organo silicon molecules can be extracted. Aside from the goal of unraveling the chemical dynamics of hitherto poorly explored atom-radical reactions, the proposed studies may impact other areas through an improved understanding of the formation and role of small organo silicon molecules in the interstellar medium (astrochemistry); in chemical vapor deposition processes (material sciences); and in providing new insights into chemical bonding of main group elements (physical organic chemistry). Integration of research and education will be achieved by outreach to high school teachers and involving undergraduate students in hands-on activities in reaction dynamics and astrochemistry. Students from underrepresented groups such as local Hawai'ians will be particularly encouraged to participate. In addition, the PI will organize an interdisciplinary session on astrochemistry at the Pacifichem 2010 in Honolulu.