二氯二氟甲烷的高分辨率电子动量谱：外层价分子轨道的明确归属

High resolution electron momentum spectroscopy of dichlorodifluoromethane: unambiguous assignments of outer valence molecular orbitals.

作者信息

Shan Xu, Chen Xiang Jun, Zhou Li Xia, Li Zhong Jun, Liu Tao, Xue Xin Xia, Xu Ke Zun

机构信息

Hefei National Laboratory for Physical Sciences at Microscale, Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026, PRC.

出版信息

J Chem Phys. 2006 Oct 21;125(15):154307. doi: 10.1063/1.2358981.

DOI:10.1063/1.2358981

PMID:17059255

Abstract

On account of controversial orbital assignment that appeared in previous works, [J. Chem. Phys. 120, 7933 (2004), and references therein] high resolution electron momentum spectroscopy (EMS) measurements on dichlorodifluoromethane has been carried out using a newly developed high resolution energy-momentum dispersive multichannel spectrometer employing asymmetric noncoplanar geometry at an impact energy of 2500 eV plus binding energy. Four resolved structures and two shoulders were obviously observed in high resolution binding energy spectrum in energy range covering eight outermost valence orbitals, whereas only two broad lobes were resolved in previous EMS studies [J. Chem. Phys. 120, 7933 (2004); Chin. Phys. 14, 2467 (2005)]. The ordering of these orbitals was reassigned unambiguously by simple comparison of experimental momentum distributions with theoretical ones.

摘要

由于先前研究中出现了有争议的轨道归属问题，[《化学物理杂志》120, 7933 (2004)，以及其中的参考文献] 我们使用新开发的高分辨率能量 - 动量色散多通道光谱仪，在2500 eV的碰撞能量加上结合能的条件下，采用不对称非共面几何结构，对二氯二氟甲烷进行了高分辨率电子动量谱（EMS）测量。在覆盖八个最外层价轨道的能量范围内，高分辨率结合能谱中明显观察到四个分辨出的结构和两个肩峰，而在先前的EMS研究中 [《化学物理杂志》120, 7933 (2004); 《中国物理》14, 2467 (2005)] 仅分辨出两个宽峰。通过将实验动量分布与理论动量分布进行简单比较，明确重新确定了这些轨道的顺序。