Photon Science Institute, School of Physics and Astronomy, University of Manchester, Manchester M13 9PL, United Kingdom.
J Chem Phys. 2013 May 7;138(17):174304. doi: 10.1063/1.4802960.
Experimental and theoretical triple differential cross sections (TDCS) from ammonia are presented in the low energy regime with outgoing electron energies from 20 eV down to 1.5 eV. Ionization measurements from the 3a1, 1e1, and 2a1 molecular orbitals were taken in a coplanar geometry. Data from the 3a1 and 1e1 orbitals were also obtained in a perpendicular plane geometry. The data are compared to predictions from the distorted wave Born approximation and molecular-three-body distorted wave models. The cross sections for the 3a1 and 1e1 orbitals that have p-like character were found to be similar, and were different to that of the 2a1 orbital which has s-like character. These observations are not reproduced by theory, which predicts the structure of the TDCS for all orbitals should be similar. Comparisons are also made to results from experiment and theory for the iso-electronic targets neon and methane.
实验和理论三重微分截面（TDCS）从氨中提出在低能量区域与传出电子能量从 20 eV 下降到 1.5 eV。离子化测量从 3a1、1e1 和 2a1 分子轨道在共面几何。数据从 3a1 和 1e1 轨道也获得在垂直平面几何。数据比较从扭曲波 Born 近似和分子三体扭曲波模型的预测。截面 3a1 和 1e1 轨道有 p 相似的特点，被发现是相似的，而不是 2a1 轨道，具有 s 相似的特点。这些观察结果不被理论所复制，这表明所有轨道的 TDCS 的结构应该是相似的。比较也提出了实验和理论结果的等电子目标氖和甲烷。
