Introduction of Laser Experiments and Molecular Modeling to the Physical Chemistry Laboratory

9350995 Baum该项目将通过让本科生接触到最先进的技术，包括基于激光的光谱分析和分子建模，来增强他们的物理化学体验。这个项目的主要焦点将是向学生展示实验和理论在确定分子性质方面是如何相互补充的。所要求的低成本仪器将允许实施各种项目，包括激光拉曼光谱、激光诱导荧光、快速激发态反应(低至5 ns)和双分子过程的动力学，以及电荷转移络合物的研究。在每种情况下，学生将利用斯巴达计算和可视化适合实验的分子性质，如几何形状、键强度、振动模式、分子轨道、电子密度、激发态性质、电离能和分子间相互作用。这些活动将说明物理化学的许多重要概念和应用。

9350995 Baum The project will enhance the physical chemistry experience of undergraduates by exposing them to state-of-the art techniques involving laser-based spectroscopy and molecular modeling. The major focus of this project will be to show students how experiment and theory complement one another in determining the properties of molecules. The requested low-cost instrumentation will allow implementation of a variety of projects including laser Raman spectroscopy, laser induced fluorescence, kinetics of fast excited- state reactions (down to 5 ns) and bimolecular processes, and the study of charge transfer complexes. In each case, the student will utilize SPARTAN to calculate and visualize the molecular properties appropriate to the experiment such as geometry, bond strength, vibrational modes, molecular orbitals, electron density, excited-- state properties, ionization energies, and intermolecular interactions. These activities will illustrate many of the important concepts and applications of physical chemistry.