The Effect of Molecular Orientation Geometry Upon Associative Activated Desorption

该项目属于分析和表面化学的一般领域，以及气体-表面反应动力学的子领域。该研究计划将研究双原子分子与表面之间的作用力，当分子在解离化学吸附或缔合解吸之前越过活化势垒时。反应气体表面电势的各向异性将作为分子取向几何的函数，使用多光子激光电离光谱来检测活化缔合复合产物的特定状态。角度选择、速度选择、偏振光谱将被用来检测特定的化学事件。这些实验研究的结果将对化学反应如何在表面发生提供详细的新见解。此外，它们还将使对分子与表面相互作用的建模理论方法的精确测试成为可能。构建势能面的可靠方法的发展将反过来促进表面化学反应的建模。

This project is in the general area of analytical and surface chemistry and in the subfield of gas-surface reaction dynamics. The research program will investigate the forces between a diatomic molecule and a surface when the molecule is crossing an activation barrier prior to dissociative chemisorption or associative desorption. The anisotropy of the reactive gas-surface potential will be probed as a function of molecular orientation geometry using multiphoton laser ionization spectroscopy to detect the specific states of the products of activated associative recombination. Angle-selected, velocity-selected, polarization spectroscopy will be employed to detect specific chemical events. The results of these experimental studies will provide detailed new insights into how chemical reactions occur on surfaces. In addition they will enable precise testing of theoretical methods of modeling the interaction of molecules with surfaces. Development of reliable methods for constructing potential energy surfaces will in turn facilitate modeling of surface chemical reactions.