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 Title: Adding The Temperature Dimension To Size-selected Ion Vibrational Predissociation Spectroscopy: Observation Of "melting" In The Primary Solvation Shell Of Microhydrated Iodide Clusters Author(s): Gorlova, Olga Contributor(s): Johnson, Mark; Wolke, Conrad Subject(s): Mini-symposium: Beyond the Mass-to-Charge Ratio: Spectroscopic Probes of the Structures of Ions Abstract: Over the past decade, an intensive integrated effort involving theory and experiment have revealed the structures at play in the first hydration shell of simple ions. The water molecules generally adopt configurations in which one \chem{OH} group is directed toward the ion while the other is integrated into a water network. One of the reasons this endeavor was difficult is that the three-body repulsion in this regime acts to significantly lower the effective inter-water binding energies, making the equilibrium structures much more fragile than their neutral counterparts. Here we exploit very recent advances in the temperature control of size-selected ionic clusters using cryogenic ion trACS to monitor how the spectroscopic signatures of the water networks evolve as the temperature of the \chem{I}$^{-}$(\chem{H_2O})$_{n}$ clusters is varied over the range 10 to 200 K. The breaking of the hydrogen bond interactions is observed around 150 K in the dimer. Qualitative assignments of the free, bound and ring hydrogens in the \chem{OH} stretching region clarify the evolution from closed to linear hydrogen bond networks as the temperature changes. The success of this temperature programmed ion vibration predissociation (TPIVP) spectroscopy opens the way to sample large amplitude exploration of potential energy landscapes of such systems. Issue Date: 2014-06-19 Publisher: International Symposium on Molecular Spectroscopy Citation Info: Gorlova, O.; Johnson, M.; Wolke, C. ADDING THE TEMPERATURE DIMENSION TO SIZE-SELECTED ION VIBRATIONAL PREDISSOCIATION SPECTROSCOPY: OBSERVATION OF "MELTING" IN THE PRIMARY SOLVATION SHELL OF MICROHYDRATED IODIDE CLUSTERS. Proceedings of the International Symposium on Molecular Spectroscopy, Urbana, IL, June 16-21, 2014. DOI: 10.15278/isms.2014.RG05 Genre: CONFERENCE PAPER/PRESENTATION Type: Text Language: English URI: http://hdl.handle.net/2142/51108 DOI: https://doi.org/10.15278/isms.2014.RG05 Rights Information: Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/ Date Available in IDEALS: 2014-09-172015-04-14
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