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乙烯中ã(3)B(1u)电子态的电子碰撞激发:实验基准系统?

Electron impact excitation of the ã (3)B(1u) electronic state in C2H4: an experimentally benchmarked system?

机构信息

ARC Centre for Antimatter-Matter Studies, School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia.

出版信息

J Chem Phys. 2012 May 14;136(18):184313. doi: 10.1063/1.4716184.

DOI:10.1063/1.4716184
PMID:22583293
Abstract

We report on differential and integral cross section measurements for the electron impact excitation of the lowest-lying triplet electronic state (ã (3)B(1u)) in ethylene (C(2)H(4)). The energy range of the present experiments was 9 eV-50 eV, with the angular range of the differential cross section measurements being 15°-90°. As the ground electronic state of C(2)H(4) is a (1)A(g) state, this singlet → triplet excitation process is expected to be dominated by exchange scattering. The present angular distributions are found to support that assertion. Comparison, where possible, with previous experimental results from the University of Fribourg group shows very good agreement, to within the uncertainties on the measured cross sections. Agreement with the available theories, however, is generally marginal with the theories typically overestimating the magnitude of the differential cross sections. Notwithstanding that, the shapes of the theoretical angular distributions were in fact found to be in good accord with the corresponding experimental results.

摘要

我们报告了乙烯(C2H4)中最低三重态电子态(ã(3)B1u)的电子碰撞激发的微分和积分截面测量结果。本实验的能量范围为 9 eV-50 eV,微分截面测量的角范围为 15°-90°。由于 C2H4 的基态电子态是 a(1)Ag 态,因此这种单重态→三重态激发过程预计将由交换散射主导。目前的角分布支持这一说法。在可能的情况下,与弗里堡大学(University of Fribourg)小组之前的实验结果进行比较,结果非常吻合,在测量截面的不确定度范围内。然而,与现有理论的一致性通常是微不足道的,因为这些理论通常高估了微分截面的大小。尽管如此,理论角分布的形状实际上与相应的实验结果非常吻合。

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