Laser Spectroscopy and Computational Chemistry: Essentials for a Modern Physical Chemistry Laboratory

激光光谱学和计算化学：现代物理化学实验室的要素

• 批准号: 9451789
• 负责人: Theresa Zielinski
• 金额: $ 2.36万
• 依托单位: Niagara University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1994
• 资助国家: 美国
• 起止时间: 1994-09-01 至 1997-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9451789&HistoricalAwards=false
• 关键词: Laser; Spectroscopy; Computational; Chemistry; Essentials

9451789 Zielinski Three modern laser experiments with complementing computational chemistry components are being incorporated into the physical chemistry laboratory courses. A nitrogen pumped dye laser and boxcar gate setup is being used to study the atomic spectroscopy of Ne or Ar. The same laser system is being used to study the photochemistry of Ru(II) diimine complexes where short time-scale (10 - 100 ns) measurements of luminescent lifetimes are being used to analyze the collision induced energy transfer between excited metal complexes and organic quenchers. The nitrogen laser is being used with gated integration to implement an introductory Raman spectroscopy study of CCI4, C2H50H, or C6H6. These experiments use a versatile computer interface and a departmental PC to control scanning, acquisition and manipulation of data, and subsequent plotting of results. This is exposing our majors to modern optics and computer based data acquisition techniques in a non-black box learning situation. An IBM RS6000 computer workstation is being used to implement the theoretical complement to each experiment. Spartan v3.0 software is providing a convenient and easy interface for students to compute and visualize molecular orbitals and molecular structures. The theoretical studies are intimately integrated into the spectroscopy experiments using the lasers and the departmental FTIR and UV-VIS instruments. The full integration of the three components, spectroscopy experiments, theoretical chemistry, and molecular modeling, is essential for the modernization of physical chemistry laboratory. Methods for implementation of these integrated experiments would be of major interest to other undergraduate institutions seeking to sustain student interest in physical chemistry.

9451789 Zielinski三个现代激光实验与补充计算化学成分被纳入物理化学实验室课程。 用氮泵浦染料激光器和矩形波门装置研究了Ne和Ar原子光谱。 相同的激光系统被用于研究Ru（II）二亚胺络合物的光化学，其中发光寿命的短时间尺度（10 - 100 ns）测量被用于分析激发的金属络合物和有机猝灭剂之间的碰撞诱导的能量转移。 氮激光器与门控积分一起用于实施CCl 4、C2 H50 H或C6 H6的介绍性拉曼光谱研究。 这些实验使用多功能计算机接口和部门PC来控制扫描、数据采集和操作以及随后的结果绘制。 这是暴露我们的专业现代光学和基于计算机的数据采集技术在非黑盒学习的情况。 IBM RS6000计算机工作站被用来实现每个实验的理论补充。 Spartan v3.0软件为学生提供了一个方便和简单的界面来计算和可视化分子轨道和分子结构。 理论研究密切结合到光谱实验中使用的激光和部门FTIR和UV-VIS仪器。 光谱实验、理论化学和分子模拟三个部分的全面整合是物理化学实验室现代化的必要条件。 实施这些综合实验的方法将是其他本科院校寻求维持学生对物理化学的兴趣的主要兴趣。