Photoelectron Measures of Extended Electronic Properties

亚利桑那大学化学系的Dennis Lichtenberger博士得到了化学系无机，生物无机和有机化学项目的支持，利用光电子能谱来探测决定电子通信和电子转移的电子结构特征。将检查含有两个处于电子通信中的独立分子功能单元的化合物。分子功能单元将包括混合价金属络合物、取代的酞菁和卟啉以及含有有机供体-受体对的物质。电子转移率的马库斯能量参数将被获得，没有溶剂的贡献的内球参数将被测量，并为凝聚相实验的方法，以允许评估的分子环境和溶剂化的贡献将被开发。电子结构性质，延伸到纳米级制度是许多发展中的技术和生命过程的核心。例子包括分子导体、半导体、光电应用、生物电子转移、电子转移等。本项目的目的是研究这类系统的基本电子结构性质。此外，该研究通过开发下一代光电子能谱仪器和方法，并为研究生和本科院校的研究人员提供这些能力，对加强科学基础设施产生了广泛的影响。这个光电子设施是美国唯一的大中性分子光电子测量源。科学人力资源的开发是通过跨机构的学生共享，并强调将研究与教学，培训和学习相结合来促进的。来自其他机构的学生访问该设施，收集数据，了解电子结构和光电子能谱。

Dr. Dennis Lichtenberger, Chemistry Department, University of Arizona, is supported by the Inorganic, Bioinorganic, and Organometallic Chemistry Program of the Chemistry Division to utilize photoelectron spectroscopy to probe electronic structure features that determine electronic communication and electron transfer. Compounds that contain two separate molecular functional units that are in electronic communication will be examined. Molecular functional units will include mixed-valence metal complexes, substituted phthalocyanines and porphyrins, and species containing organic donor-acceptor pairs. The Marcus energy parameters for electron transfer rates will be obtained, the inner-sphere parameters without solvent contributions will be measured, and methods for condensed-phase experiments to allow evaluation of the contributions of the molecular environment and solvation will be developed.Electronic structure properties that extend toward the nanoscale regime are central to many developing technologies and life processes. Examples include molecular conductors, semiconductors, optoelectronic applications, biological electron transfer, photocatalysis and more. The purpose of this project is to investigate the fundamental electronic structure properties of such systems. In addition, the research has a broad impact on enhancing the infrastructure of science through developing the next-generation instrumentation and methods for photoelectron spectroscopy, and providing access to these capabilities to researchers in both graduate and undergraduate institutions. This photoelectron facility is the only source in the United States for photoelectron measurements on large neutral molecules. The development of human resources in science is promoted by the sharing of students across institutions and by the emphasis on integrating research with teaching, training, and learning. Students from other institutions visit the facility to collect data and learn about electronic structure and photoelectron spectroscopy.