Structures and Superhalogen Properties of Pt2Cln (2 ≤ n ≤ 10) Clusters
Structures and Superhalogen Properties of Pt2Cln (2 ≤ n ≤ 10) Clusters
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Pt2Cln(2≤n≤10)团簇的结构和超卤性质
DOI：
10.1021/acs.jpca.8b08349
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发表时间：
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期刊：
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通讯作者：
Xianglei Kong
中科院分区：
文献类型：
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作者：
Yingying Shi;Shen Bian;Yuan Ma;Yiyun Wang;Juan Ren;Xianglei Kong
摘要：采用激光烧蚀质谱法研究了Pt2Cln的簇阴离子。其中，Pt2Cl6−和Pt2Cl9−在质谱中表现出显著的强度。并对这两种阴离子进行了碰撞激活解离实验。在B3LYP/Lanl2dz/6-311++G水平上对Pt1−2Cln（2≤n≤10）簇的结构和电子亲和（ea）进行了系统的研究（2d, p）。两种体系的ea都不随Cl原子数的增加而单调增加。PtCln（3≤n≤10）和Pt2Cln（3≤n≤10）团簇的ea均大于Cl原子。Pt2Cln和PtCln系列的最高ea分别为6.55和5.82 eV，与Pt2Cl9和PtCl9对应。结果表明，这些簇可以作为构建新型“超盐”的有效单元。
ABSTRACT: Laser ablation mass spectrometry was applied to study the cluster anions of Pt2Cln. Among them, Pt2Cl6 − and Pt2Cl9− were observed with remarkable intensities in the mass spectrum. Collision-activated dissociation experiments were also performed for the two anions. A systematic study of the structures and electron affinities (EAs) of Pt1−2Cln (2 ≤ n ≤ 10) clusters was performed on the level of B3LYP/Lanl2dz/6-311++G(2d, p). For both systems, their EAs do not increase monotonically with the increase of Cl atoms. All the clusters of PtCln (3 ≤ n ≤ 10) and Pt2Cln (3 ≤ n ≤ 10) show EAs larger than that of the Cl atom. The highest EAs for the series of Pt2Cln and PtCln are 6.55 and 5.82 eV, corresponding to those of Pt2Cl9 and PtCl9, respectively. The results indicate that these clusters might be applied as effective units in constructing new “hypersalts”.