Infrared signature of structures associated with the H+(H2O)n (n=6 to 27) clusters
Infrared signature of structures associated with the H+(H2O)n (n=6 to 27) clusters
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DOI：
10.1126/science.1096466
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发表时间：
2004-05-21
期刊：
影响因子：
56.9
通讯作者：
Jordan, KD
中科院分区：
文献类型：
--
作者：
Shin, JW;Hammer, NI;Jordan, KD
我们报道了尺寸选定的H~+(H_2O)(N)团簇在团簇分布中n=21的“幻数”区域的OH伸缩振动光谱。在光谱中观察到尖锐的特征，并将其归因于在小于或等于n小于或等于27的整个尺寸范围内悬挂的OH基团的激发。这些带的多个出现在较小的簇大小。这种模式在n=11时简化为二元组，其中二元组持续到n=20，但随后在n=21和n=22簇中折叠成一条线，并在n=23处重新出现。这种光谱简化提供了直接的证据，证明对于魔数团簇，所有悬挂的OH基团都来自相似结合位置的水分子。
We report the OH stretching vibrational spectra of size-selected H+(H2O)(n) clusters through the region of the pronounced "magic number" at n = 21 in the cluster distribution. Sharp features are observed in the spectra and assigned to excitation of the dangling OH groups throughout the size range 6 less than or equal to n less than or equal to 27. A multiplet of such bands appears at small cluster sizes. This pattern simplifies to a doublet at n = 11, with the doublet persisting up to n = 20, but then collapsing to a single line in the n = 21 and n = 22 clusters and reemerging at n = 23. This spectral simplification provides direct evidence that, for the magic number cluster, all the dangling OH groups arise from water molecules in similar binding sites.