Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstr. 25, A-6020 Innsbruck, Austria.
Department of Physics, Stockholm University, SE-10691 Stockholm, Sweden.
Phys Chem Chem Phys. 2023 Mar 22;25(12):8463-8471. doi: 10.1039/d2cp04569a.
The structure of cationic and anionic Cu clusters grown in multiply charged superfluid He nanodroplets was investigated using He tagging as a chemical probe. Further, the structure assignment was done based on the magic-numbered ions, representing the most energetically favorable structures. The exact geometry of the cluster and positions of He is verified by calculations. It was found that the structure of the clusters grown in the He droplets is similar to that produced with a laser ablation source and the lowest energy structures predicted by theoretical investigations. The only difference is the structure of the Cu, which in our experiments has a twisted-X geometry, rather than a bipyramid or planar half-wheel geometry suggested by previous studies. This might be attributed to the different cluster formation mechanisms, the absence of the Ar-tag and the ultracold environment. It was also found that He tends to bind to partially more electro-negative or positive areas of the anionic or cationic clusters, respectively.
使用 He 标记作为化学探针，研究了在多电荷超流 He 纳米液滴中生长的阳离子和阴离子 Cu 团簇的结构。此外，基于代表最有利结构的魔术数离子进行了结构分配。通过计算验证了簇的精确几何形状和 He 的位置。结果发现，在 He 液滴中生长的团簇的结构与使用激光烧蚀源产生的结构以及理论研究预测的最低能量结构相似。唯一的区别是 Cu 的结构，在我们的实验中，Cu 的结构具有扭曲-X 几何形状，而不是之前研究提出的双锥或平面半轮几何形状。这可能归因于不同的团簇形成机制、缺少 Ar 标记以及超低温环境。还发现 He 倾向于分别结合到阴离子或阳离子团簇的部分电负性或正性更强的区域。
