Structural origin of the antimagic number in protonated water clusters H+(H2O)n: Spectroscopic observation of the "missing" water molecule in the outermost hydration shell

Kenta Mizuse, Asuka Fujii

研究成果: Article

18 引用 (Scopus)

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To investigate the origin of the instability of the water network consisting of a specific (so-called antimagic) number of molecules, we report infrared spectra of cold protonated water clusters H+(H 2O)n (n = 20-23) tagged with weakly bound H2 molecules. In this size range, only in n = 22, which has been known to be an antimagic number cluster, is a band attributed to the one-coordinated, dangling water molecule observed. This observation indicates that the 22nd water molecule is loosely bound to the surface of the closed cage structure of H +(H2O)21. This band has been missing in any spectra of the warmer and bare cluster of n = 22. The present results evidence the characteristic cluster structure of the antimagic numbered cluster, which has been predicted by Singh et al. (Angew. Chem., Int. Ed.2006, 45, 3795) and suggests that the thermal and dynamic effects perturb the spectrum, structure, or both in warmer cases.

元の言語English
ページ(範囲)2130-2134
ページ数5
ジャーナルJournal of Physical Chemistry Letters
2
発行部数17
DOI
出版物ステータスPublished - 2011 9 1

ASJC Scopus subject areas

  • Materials Science(all)
  • Physical and Theoretical Chemistry

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