Institute for Molecules and Materials, Radboud University, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands.
Department of Chemistry, University of Missouri, Columbia, Missouri 65211, USA.
J Chem Phys. 2017 Jul 7;147(1):013918. doi: 10.1063/1.4981023.
We present state-to-state differential cross sections for collisions of NO molecules (XΠ,j=1/2,f) with He atoms and ortho-D (j = 0) molecules as a function of collision energy. A high angular resolution obtained using the combination of Stark deceleration and velocity map imaging allows for the observation of diffraction oscillations in the angular scattering distributions. Differences in the differential cross sections and, in particular, differences in the angular spacing between individual diffraction peaks are observed. Since the masses of D and He are almost equal and since D(j = 0) may be considered as a pseudo-atom, these differences directly reflect the larger size of D as compared to He. The observations are in excellent agreement with the cross sections obtained from quantum close-coupling scattering calculations based on accurate ab initio NO-He and NO-D potential energy surfaces. For the latter, we calculated a new NO-D potential energy surface.
我们给出了 NO 分子（XΠ,j=1/2,f）与 He 原子和正氘（j = 0）分子碰撞的态态微分截面作为碰撞能量的函数。使用 Stark 减速和速度映射成像的组合获得的高角分辨率允许观察到角散射分布中的衍射振荡。我们观察到微分截面的差异，特别是各个衍射峰之间的角间距的差异。由于 D 和 He 的质量几乎相等，并且由于 D（j = 0）可以被视为伪原子，因此这些差异直接反映了 D 相对于 He 的更大尺寸。这些观察结果与基于准确从头算 NO-He 和 NO-D 势能面的量子紧密耦合散射计算得出的截面非常吻合。对于后者，我们计算了一个新的 NO-D 势能面。
