A study of wavefunction and chemical bonding by (e, 2e) electron momentum spectroscopy

在现代化学中，波函数是理解分子性质和反应性的基础。获得诺贝尔奖的福井理论就是一个例子。然而，通常情况下，波函数被理解为一个抽象的概念，而不是一个真实的物理存在。这是因为直接测量波函数的情况很少。在这个项目中，它的目的是建立(e，2e)光谱学，使确定波函数成为可能。为此，研制了一种由球面电子分析器和多道探测器组成的光谱仪。结果表明，能量分辨率为1.5 eV，动量分辨率为0.2au，动量范围为3.5au。该光谱仪具有多道检测、数据快速编制的特点，利用该光谱仪研究了硫醇的电子态，包括硫化氢和呋喃，并已发表。

In modern chemistry, the basis on understanding of molecular properties and reactivities is the wavefunction. Fukui's theory, which won a Nobel prize, is just an exammple. Ususally, however, the wavefunction is understood to be an abstract concept, not as an real physical existence. It is because it is rare that the wavefunction is measured directly.In this project it is aimed to establish (e, 2e) spectroscopy which makes it possible to determine wavefunctions. Thus a spectrometer, which consists of spherical electron analyzer and multichannel detectors, has been developed. It has been found that the energy resolution, momentum resolution and momentum range covered are 1.5eV,0.2au., and 3.5au., respectively. This spectrometer features in fast compilation of data owing to multichannel detection.Using this spectrometer electronic states of thiols including hydrogen sulfide and furan are studied, which has been published already.