Infrared detection of (H2O)20 isomers of exceptional stability: A drop-like and a face-sharing pentagonal prism cluster

Pradzynski, Christoph C.; Dierking, Christoph W.; Zurheide, Florian; Forck, Richard M.; Buck, Udo; Zeuch, Thomas; Xantheas, Sotiris S.

doi:10.1039/C4CP03642E

Title: Infrared detection of (H₂O)₂₀ isomers of exceptional stability: A drop-like and a face-sharing pentagonal prism cluster

Journal Article · Mon Sep 01 00:00:00 EDT 2014 · Physical Chemistry Chemical Physics. PCCP

DOI:https://doi.org/10.1039/C4CP03642E· OSTI ID:1166684

Pradzynski, Christoph C. ^[1]; Dierking, Christoph W. ^[1]; Zurheide, Florian ^[1]; Forck, Richard M. ^[1]; Buck, Udo ^[2]; Zeuch, Thomas ^[1]; Xantheas, Sotiris S. ^[3]

Univ. Gottingen, Gottingen (Germany)
Max-Planck-Institut fur Dynamik und Selbstorganisation, Gottingen (Germany)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Water clusters containing fully coordinated water molecules are model systems that mimic the local environment of the condensed phase. Present knowledge about the water cluster size regime in which the transition from the allsurface to the fully solvated water molecules occurs is mainly based on theoretical predictions in lieu of the absence of precisely size resolved experimental measurements. Here, we report size and isomer selective infrared (IR) spectra of (H₂O)₂₀ clusters tagged with a sodium atom by employing IR excitation modulated photoionization spectroscopy. The observed absorption patterns in the OH stretching ”fingerprint” region are consistent with the theoretically predicted spectra of two structurally distinct isomers: A drop-like cluster with a fully coordinated (interior) water and an edge-sharing pentagonal prism cluster in which all atoms are on the surface. The observed isomers show exceptional stability and are predicted to be nearly isoenergetic.

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Research Organization:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1166684

Report Number(s):: PNNL-SA-102598; PPCPFQ; KC0301020

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Vol. 16, Issue 48; ISSN 1463-9076

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 23 works

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Title: Infrared detection of (H₂O)₂₀ isomers of exceptional stability: A drop-like and a face-sharing pentagonal prism cluster