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Infrared Signature of Structures Associated with the H + (H 2 O) n ( n = 6 to 27) Clusters

2004; American Association for the Advancement of Science; Volume: 304; Issue: 5674 Linguagem: Inglês

10.1126/science.1096466

1095-9203

Joong‐Won Shin, Nathan I. Hammer, Eric G. Diken, Mark A. Johnson, R. Walters, T. D. Jaeger, Michael A. Duncan, Richard Christie, Kenneth D. Jordan,

Spectroscopy and Quantum Chemical Studies

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 </= n </= 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.