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Issue 37, 2017
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Infrared spectroscopy of O˙ and OH in water clusters: evidence for fast interconversion between O˙ and OH˙OH

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Abstract

We present infrared multiple photon dissociation (IRMPD) spectra of (H2O)n and (H2O)nOH cluster ensembles for [n with combining macron] ≈ 8 and 47 in the range of 2400–4000 cm−1. Both hydrated ions exhibit the same spectral features, in good agreement with theoretical calculations. Decomposition of the calculated spectra shows that bands originating from H2O⋯O˙ and H2O⋯OH interactions span almost the whole spectral region of interest. Experimentally, evaporation of OH˙ is observed to a small extent, which requires interconversion of (H2O)n into (H2O)n–1OH˙OH, with subsequent H2O evaporation preferred over OH˙ evaporation. The modeling shows that (H2O)n and (H2O)n–1OH˙OH cannot be distinguished by IRMPD spectroscopy.

Graphical abstract: Infrared spectroscopy of O˙− and OH− in water clusters: evidence for fast interconversion between O˙− and OH˙OH−

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Publication details

The article was received on 07 Jul 2017, accepted on 04 Sep 2017 and first published on 06 Sep 2017


Article type: Paper
DOI: 10.1039/C7CP04577H
Citation: Phys. Chem. Chem. Phys., 2017,19, 25346-25351
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    Infrared spectroscopy of O˙ and OH in water clusters: evidence for fast interconversion between O˙ and OH˙OH

    J. Lengyel, M. Ončák, A. Herburger, C. van der Linde and M. K. Beyer, Phys. Chem. Chem. Phys., 2017, 19, 25346
    DOI: 10.1039/C7CP04577H

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