Structure and Spectra of Three-Dimensional ( H 2 O ) n Clusters, n = 8 , 9 , 10

作者: Udo Buck , Ingo Ettischer , Mario Melzer , Victoria Buch , Joanna Sadlej

DOI: 10.1103/PHYSREVLETT.80.2578

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摘要: The vibrational OH stretch spectra have been measured for size-selected pure water clusters $({\mathrm{H}}_{2}\mathrm{O}{)}_{n}$, in the size range $n\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}8--10$. Comparison between experiment and calculations suggests that originate from a small number of ``microcrystalline'' structures, based on cubic octamer. $n\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}8$ are caused by two isomers ${D}_{2d}$ ${S}_{4}$ symmetry. proposed lowest energy nonamer decamer structures derived octamer insertion one two-coordinated molecules, respectively, into cube edges.

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