Communications: Observation of two classes of isomers of hydrated electrons in sodium-water clusters

Forck, Richard M.; Dauster, Ingo; Schieweck, Yasmin; Zeuch, Thomas; Buck, U.; Ončák, Milan; Slavı́ček, Petr

doi:10.1063/1.3439393

Cited by 37 publications

(101 citation statements)

References 30 publications

(33 reference statements)

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“…32,33 Recent experimental and theoretical investigations revealed that a surface electron is formed, either as contact ion pair (isomer class I) or a more loosely bound solvent separated ion pair (isomer class II). 34 The ionization energy of these species is independent of the cluster size above the critical size for the emergence of isomer class II. 34 As a consequence, the complete cluster size distribution (above n = 15) becomes visible even when the photoionization is performed at the threshold.…”

Section: Experimental Methodsmentioning

confidence: 99%

A size resolved investigation of large water clusters

Buck

Pradzynski

Zeuch

et al. 2014

Phys. Chem. Chem. Phys.

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174

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Size selected water clusters are generated by photoionizing sodium doped clusters close to the ionization threshold. This procedure is free of fragmentation. Upon infrared excitation, size- and isomer-specific OH-stretch spectra are obtained over a large range of cluster sizes. In one application of this method the infrared spectra of single water cluster sizes are investigated. A comparison with calculations, based on structures optimized by genetic algorithms, has been made to tentatively derive cluster structures which reproduce the experimental spectra. We identified a single all-surface structure for n = 25 and mixtures with one or two interior molecules for n = 24 and 32. In another application the sizes are determined at which the crystallization sets in. Surprisingly, this process strongly depends on the cluster temperature. The crystallization starts at sizes below n = 200 at higher temperatures and the onset is shifted to sizes above n = 400 at lower temperatures.

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Section: Experimental Methodsmentioning

confidence: 99%

A size resolved investigation of large water clusters

Buck

Pradzynski

Zeuch

et al. 2014

Phys. Chem. Chem. Phys.

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174

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“…At this ionizing photon energy, the fragmentation of larger clusters is suppressed but smaller clusters are detected with a lower probability. 4,29 Therefore, the theoretical cluster intensities in the size range below ca. n = 50 are in principle higher than experimentally observed.…”

Section: Experimental Approachmentioning

confidence: 98%

The temperature and size distribution of large water clusters from a non-equilibrium model

Gimelshein¹,

Gimelshein

Pradzynski

et al. 2015

The Journal of Chemical Physics

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A hybrid Lagrangian-Eulerian approach is used to examine the properties of water clusters formed in neon-water vapor mixtures expanding through microscale conical nozzles. Experimental size distributions were reliably determined by the sodium doping technique in a molecular beam machine. The comparison of computed size distributions and experimental data shows satisfactory agreement, especially for (H2O)n clusters with n larger than 50. Thus validated simulations provide size selected cluster temperature profiles in and outside the nozzle. This information is used for an in-depth analysis of the crystallization and water cluster aggregation dynamics of recently reported supersonic jet expansion experiments.

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“…To gain more insight into the nature of the neutral parent clusters the Na-doping method can be applied. This technique has been developed in Buck's laboratory (Bobbert et al, 2002; Zeuch and Buck, 2013) and used for size resolved infrared spectroscopy of large clusters (Forck et al, 2010; 2012; Pradzynski et al, 2012). Yoder et al (2011) also proposed it as a general method for atmospheric aerosol detection and sizing (see also Forysinski et al, 2011).…”

Section: Resultsmentioning

confidence: 99%

Atmospheric processes on ice nanoparticles in molecular beams

Fárnı́k

Poterya

2014

Front. Chem.

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This review summarizes some recent experiments with ice nanoparticles (large water clusters) in molecular beams and outlines their atmospheric relevance: (1) Investigation of mixed water–nitric acid particles by means of the electron ionization and sodium doping combined with photoionization revealed the prominent role of HNO3 molecule as the condensation nuclei. (2) The uptake of atmospheric molecules by water ice nanoparticles has been studied, and the pickup cross sections for some molecules exceed significantly the geometrical sizes of the ice nanoparticles. (3) Photodissociation of hydrogen halides on water ice particles has been shown to proceed via excitation of acidically dissociated ion pair and subsequent biradical generation and H3O dissociation. The photodissociation of CF2Cl2 molecules in clusters is also mentioned. Possible atmospheric consequences of all these results are briefly discussed.

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Communications: Observation of two classes of isomers of hydrated electrons in sodium-water clusters

Abstract: Using cluster studies to approach the electronic structure of bulk water: Reassessing the vacuum level, conduction band edge, and band gap of water

Cited by 37 publications

References 30 publications

A size resolved investigation of large water clusters

A size resolved investigation of large water clusters

The temperature and size distribution of large water clusters from a non-equilibrium model

Atmospheric processes on ice nanoparticles in molecular beams

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