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首页> 外文期刊>The Journal of Chemical Physics >Integral steric asymmetry in the inelastic scattering of NO(X-2 Pi)
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Integral steric asymmetry in the inelastic scattering of NO(X-2 Pi)

机译：非弹性散射中的整体空间不对称（x-2 pi）

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摘要

The integral steric asymmetry for the inelastic scattering of NO(X) by a variety of collision partners was recorded using a crossed molecular beam apparatus. The initial state of the NO(X, upsilon = 0, j = 1/2, Omega = 1/2, is an element of= -1, f) molecule was selected using a hexapole electric field, before the NO bond axis was oriented in a static electric field, allowing probing of the scattering of the collision partner at either the N- or O-end of the molecule. Scattered NO molecules were state selectively probed using (1 + 1 0) resonantly enhanced multiphoton ionisation, coupled with velocity-map ion imaging. Experimental integral steric asymmetries are presented for NO(X) + Ar, for both spin-orbit manifolds, and Kr, for the spin-orbit conserving manifold. The integral steric asymmetry for spin-orbit conserving and changing transitions of the NO(X) + O-2 system is also presented. Close-coupled quantum mechanical scattering calculations employing well-tested ab initio potential energy surfaces were able to reproduce the steric asymmetry observed for the NO-rare gas systems. Quantum mechanical scattering and quasi-classical trajectory calculations were further used to help interpret the integral steric asymmetry for NO + O-2. Whilst the main features of the integral steric asymmetry of NO with the rare gases are also observed for the O-2 collision partner, some subtle differences provide insight into the form of the underlying potentials for the more complex system. Published by AIP Publishing.
机译：使用交叉的分子束装置记录通过各种碰撞伴侣的NO（x）的非弹性散射的整体空间不对称。使用六峰电场选择否（X，Upsilon = 0，J = 1/2，OMEGA = 1/2，OMEGA = 1/2的初始状态，在无键合轴之前定向在静电场中，允许探测分子的N-或O端的碰撞伙伴的散射。散开的没有分子使用（1 + 1 0）共振增强的多相电离选择性探测，耦合速度图离子成像。对于旋转轨道歧管，对于旋转轨道歧管和KR，对于旋转轨道歧管提供实验的整体空间不对称，对于旋转轨道歧管和Kr，呈现NO（x）+ Ar。还提出了用于旋转轨道节省和改变的NO（X）+ O-2系统的转换的整体空间不对称性。采用经过良好测试的AB初始能量表面的近耦合量子机械散射计算能够再现为无稀有气体系统观察到的空间不对称性。 Quantum机械散射和准古典轨迹计算还用于帮助解释NO + O-2的整体空间不对称性。虽然O-2碰撞合作伙伴也观察到NO与稀有气体的整体空间不对称的主要特征，但是一些微妙的差异为更复杂的系统的潜在潜力的形式提供了深入洞察力。通过AIP发布发布。

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  • 来源
    《The Journal of Chemical Physics》 |2017年第1期|共17页
  • 作者

    Brouard M.; Gordon S. D. S.; Boyle A. Hackett; Heid C. G.; Nichols B.; Walpole V.; Aoiz F. J.; Stolte S.;

  • 作者单位

    Univ Oxford Dept Chem Chem Res Lab 12 Mansfield Rd Oxford OX1 3TA England;

    Univ Oxford Dept Chem Chem Res Lab 12 Mansfield Rd Oxford OX1 3TA England;

    Univ Oxford Dept Chem Chem Res Lab 12 Mansfield Rd Oxford OX1 3TA England;

    Univ Oxford Dept Chem Chem Res Lab 12 Mansfield Rd Oxford OX1 3TA England;

    Univ Oxford Dept Chem Chem Res Lab 12 Mansfield Rd Oxford OX1 3TA England;

    Univ Oxford Dept Chem Chem Res Lab 12 Mansfield Rd Oxford OX1 3TA England;

    Univ Complutense Dept Quim Fis Fac Quim E-28040 Madrid Spain;

    Jilin Inst Atom &

    Mol Phys Qianjin Ave Changchun 130012 Peoples R China;

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  • 正文语种 eng
  • 中图分类 物理化学（理论化学）、化学物理学;
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