Electronic excitation to singlet states of 1,3-C _4F _6, c-C _4F _6 and 2-C _4F _6 by electron impact - Electron energy-loss spectroscopy and ab initio calculations

Lim?o-Vieira P.; Anzai K.; Kato H.; Hoshino M.; Da Silva F.F.; Duflot D.; Mogi D.; Tanioka T.; Tanaka H.

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Electronic excitation to singlet states of 1,3-C _4F _6, c-C _4F _6 and 2-C _4F _6 by electron impact - Electron energy-loss spectroscopy and ab initio calculations

机译：通过电子碰撞电子激发到1,3-C _4F _6，c-C _4F _6和2-C _4F _6的单重态-电子能量损失谱和从头算

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We report on the first measurements of the electron impact electronic excitation cross sections for C _4F _6 isomers, hexafluoro-1,3-butadiene (1,3-C _4F _6), hexafluorocyclobutene (c-C _4F _6), and hexafluoro-2-butyne (2-C _4F _6), measured at 100 eV, 3° scattering angle, while sweeping the energy loss over the range 2.0-15.0 eV. Under these experimental conditions, optically allowed transitions are favored. The electronic state spectroscopy has been investigated and the assignments supported by quantum chemical calculations. The n = 3 members of the Rydberg series have been assigned converging to the lowest ionization energy limits of the C _4F _6 isomers and classified according to the magnitude of the quantum defects (δ).

机译：我们报告了有关C _4F _6异构体，六氟-1,3-丁二烯（1,3-C _4F _6），六氟环丁烯（cC _4F _6）和六氟-2-丁炔的电子冲击电子激发截面的首次测量结果（2-C _4F _6），在100 eV，3°散射角下测量，同时在2.0-15.0 eV范围内扫描能量损耗。在这些实验条件下，光学允许的跃迁是有利的。已经研究了电子状态光谱，并且量子化学计算支持了该任务。已将Rydberg系列的n = 3个成员收敛到C _4F _6异构体的最低电离能极限，并根据量子缺陷（δ）的大小进行分类。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2012年第43期|共10页
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Lim?o-Vieira P.; Anzai K.; Kato H.; Hoshino M.; Da Silva F.F.; Duflot D.; Mogi D.; Tanioka T.; Tanaka H.;
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1. Electronic excitation to singlet states of 1,3-C _4F _6, c-C _4F _6 and 2-C _4F _6 by electron impact - Electron energy-loss spectroscopy and ab initio calculations [J] . Lim?o-Vieira P., Anzai K., Kato H., The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2012,第43期

机译：通过电子碰撞电子激发到1,3-C _4F _6，c-C _4F _6和2-C _4F _6的单重态-电子能量损失谱和从头算
2. Ab Initio Calculation of 4f→5d Transition Energy and Electronic Structure of Ce~(3+) Doped in LiYF_4 Crystal [J] . Jiang Ying, Zeng Zhi, Xia Shangda, Journal of rare earths . 2005,第2期

机译：LiYF_4晶体中Ce〜（3+）掺杂4f→5d跃迁能和电子结构的从头算
3. Ab Initio Calculation of 4f→5d Transition Energy and Electronic Structure of Ce~(3+) Doped in LiYF_4 Crystal [J] . Jiang Ying, Zeng Zhi, Xia Shangda, Journal of rare earths . 2005,第2期

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Electronic excitation to singlet states of 1,3-C _4F _6, c-C _4F _6 and 2-C _4F _6 by electron impact - Electron energy-loss spectroscopy and ab initio calculations

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