四氢吡喃和1,4-二氧六环的动力学（e,2e）研究

Dynamical (e,2e) studies of tetrahydropyran and 1,4-dioxane.

作者信息

Builth-Williams J D, da Silva G B, Chiari L, Jones D B, Chaluvadi Hari, Madison D H, Brunger M J

机构信息

School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, South Australia 5001, Australia.

Department of Physics, Missouri University of Science and Technology, Rolla, Missouri 65409, USA.

出版信息

J Chem Phys. 2014 Jun 7;140(21):214312. doi: 10.1063/1.4880204.

DOI:10.1063/1.4880204

PMID:24908013

Abstract

We present experimental and theoretical results for the electron-impact ionization of the highest occupied molecular orbitals of tetrahydropyran and 1,4-dioxane. Using an (e,2e) technique in asymmetric coplanar kinematics, angular distributions of the slow ejected electron, with an energy of 20 eV, are measured when incident electrons at 250 eV ionize the target and scatter through an angle of either -10° or -15°. The data are compared with calculations performed at the molecular 3-body distorted wave level. Fair agreement between the theoretical model and the experimental measurements was observed. The similar structures for these targets provide key insights for assessing the limitations of the theoretical calculations. This study in turn facilitates an improved understanding of the dynamics in the ionization process.

摘要

我们展示了四氢吡喃和1,4 - 二氧六环最高占据分子轨道的电子碰撞电离的实验和理论结果。使用非对称共面运动学中的（e,2e）技术，当250 eV的入射电子使靶电离并以-10°或-15°的角度散射时，测量能量为20 eV的慢出射电子的角分布。将数据与在分子三体扭曲波水平进行的计算进行比较。观察到理论模型与实验测量之间有较好的一致性。这些靶的相似结构为评估理论计算的局限性提供了关键见解。这项研究反过来有助于更好地理解电离过程中的动力学。