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首页> 外文期刊>The Journal of Chemical Physics >Photo-dissociation of naphthalene dimer cations stored in a compact electrostatic ion storage ring
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Photo-dissociation of naphthalene dimer cations stored in a compact electrostatic ion storage ring

机译:储存在紧凑型静电离子储存环中的萘二聚体阳离子的光离析

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摘要

Naphthalene dimer cations [C10H8](2)(+) have been produced by using an electron cyclotron resonance plasma ion source and stored in a compact electrostatic ion storage ring. We show that the radiative cooling of these cations is much slower than the isolated monomer naphthalene cations. We also report on photo-dissociation studies in the gas phase of naphthalene dimer cations at high internal energy. The dissociation energy is estimated to 0.5 eV in close agreement with previous measurements but a factor of 2 smaller than recent (density functional theory (DFT) and ab initio) theoretical studies. As uncertainties on theory as well as on the experiment cannot be as large as this difference, we conclude that this discrepancy may be due to temperature effects with possible isomerization. As an interpretation of the photo-dissociation spectrum of naphthalene dimer cations, we propose a tentative simple analytical model based on effective Morse potentials. These effective potentials are expected to "average" temperature effects that would apparently result in a smaller energy difference between the fundamental and dissociation states due to the twisting vibration modes of the naphthalene dimer cations. Published under license by AIP Publishing.
机译:通过使用电子回旋谐振等离子体离子源并储存在紧凑的静电离子储存环中,已经生产萘二聚体阳离子[C10H8](2)(+)。我们表明这些阳离子的辐射冷却比分离的单体萘阳离子慢得多。我们还报告了高内部能量下萘二聚体阳离子的气相中的光离解。与先前测量的密切协议估计解离能为0.5eV,但比近期(密度泛函理论(DFT)和AB Initio)的理论研究。作为理论的不确定性以及实验不能像这种差异一样大,我们得出结论,这种差异可能是由于具有可能异构化的温度效应。作为萘二聚体阳离子的光离解光谱的解释,我们提出了一种基于有效莫尔斯电位的暂定简单的分析模型。这些有效潜力预期为“平均”温度效应,这显然会导致基本和解离状态之间的较小能量差,因为萘二聚体阳离子的扭曲振动模式。通过AIP发布在许可证下发布。

著录项

  • 来源
    《The Journal of Chemical Physics》 |2019年第5期|共10页
  • 作者单位

    Univ Lyon 1 Univ Lyon CNRS Inst Lumiere Matiere UMR5306 F-69622 Villeurbanne France;

    Univ Lyon 1 Univ Lyon CNRS Inst Lumiere Matiere UMR5306 F-69622 Villeurbanne France;

    Univ Lyon 1 Univ Lyon CNRS Inst Lumiere Matiere UMR5306 F-69622 Villeurbanne France;

    Univ Lyon 1 Univ Lyon CNRS Inst Lumiere Matiere UMR5306 F-69622 Villeurbanne France;

    Univ Lyon 1 Univ Lyon CNRS Inst Lumiere Matiere UMR5306 F-69622 Villeurbanne France;

    Univ Lyon 1 Univ Lyon CNRS Inst Lumiere Matiere UMR5306 F-69622 Villeurbanne France;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 物理化学(理论化学)、化学物理学;
  • 关键词

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