Non-intuitive rotational reorientation in collisions of NO(A 2S+) with Ne from direct measurement of a four-vector correlation.
Non-intuitive rotational reorientation in collisions of NO(A 2S+) with Ne from direct measurement of a four-vector correlation.
复制标题
通过直接测量四向量相关性，NO(A 2S ) 与 Ne 碰撞中的非直观旋转重新定向。
DOI：
10.1038/s41557-018-0121-9
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发表时间：
2018
期刊：
影响因子：
21.8
通讯作者：
Sharples TR
中科院分区：
文献类型：
--
作者：
Sharples TR
分子碰撞的立体动力学描述涉及参与物种运动的矢量属性之间存在的角相关性，包括它们的速度和旋转角动量。矢量相关性的测量提供了碰撞过程中作用力的独特视图，并且是对分子相互作用的电子结构计算的严格测试。在这里，我们提出了直接测量的四个矢量之间的初始和最终的相对速度和转动角动量的分子碰撞的相关性。这种性质量化了分子保留其初始旋转方向或手性记忆的程度，作为散射角的函数，产生了对分子碰撞动力学的洞察。我们报告非直观的变化，在特定的状态和散射角，再现经典和量子散射计算的手性。比较不同的从头计算势能面的计算表明，这种测量的精细敏感性的基础分子间的力量。
Stereodynamic descriptions of molecular collisions concern the angular correlations that exist between vector properties of the motion of the participating species, including their velocities and rotational angular momenta. Measurements of vector correlations provide a unique view of the forces acting during collisions, and are a stringent test of electronic-structure calculations of molecular interactions. Here, we present direct measurement of the four-vector correlation between initial and final relative velocities and rotational angular momenta in a molecular collision. This property, which quantifies the extent to which a molecule retains a memory of its initial sense of rotation, or handedness, as a function of scattering angle, yields insight into the dynamics of a molecular collision. We report non-intuitive changes in the handedness for specific states and scattering angles, reproduced by classical and quantum scattering calculations. Comparison to calculations on different ab initio potential energy surfaces demonstrates this measurement’s exquisite sensitivity to the underlying intermolecular forces.