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光电子能谱是研究分子,离子以及固体表面的电子结构最为有效的工具。在化学领域内特别是自Woodward—Hoffmann对称性守恒原理问世之后,有机化学家特别热衷于研究分子中轨道的对称性及其电离能。运用光电子能谱,特别是UV—PES的结果并借助分子轨道理论模型人们已成功地建立起一个新的领域——有机光电子能谱学。 针对较大有机分子的复杂性,文中着重讨论了有机光电子能谱独具的特点以及相应的处理方法。其中重点介绍了定域化分子轨道模型对有机光电子能谱的应用。在此基础上列举了一些典型谱图并做了扼要的解析。
Photoelectron spectroscopy is the most effective tool for studying the electronic structure of molecules, ions and solid surfaces. In chemistry, especially since Woodward-Hoffmann’s conservation of symmetry, organic chemists have been particularly interested in studying the symmetry and ionization energies of orbits in molecules. Using photoelectron spectroscopy, especially UV-PES results and molecular orbital theory model has been successfully established a new field - organic photoelectron spectroscopy. In view of the complexity of larger organic molecules, this paper focuses on the unique characteristics of organic photoelectron spectroscopy and the corresponding treatment methods. The emphasis is put on the application of localized molecular orbital model to organic photoelectron spectroscopy. On this basis, some typical spectra are listed and analyzed briefly.