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  Probing the microsolvation of a quaternary ion complex: gas phase vibrational spectroscopy of (NaSO4)2(H2O)n=0–6, 8

Wende, T., Heine, N., Yacovitch, T. I., Asmis, K. R., Neumark, D. M., & Jiang, L. (2016). Probing the microsolvation of a quaternary ion complex: gas phase vibrational spectroscopy of (NaSO4)2(H2O)n=0–6, 8. Physical Chemistry Chemical Physics, 18(1), 267-277. doi:10.1039/C5CP05762K.

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 Creators:
Wende, Thorsten1, Author              
Heine, Nadja1, Author              
Yacovitch, Tara I. 2, Author
Asmis, Knut R.1, 3, 4, Author              
Neumark, Daniel M. 2, 5, Author
Jiang, Ling1, Author              
Affiliations:
1Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              
2Department of Chemistry, University of California, Berkeley, California 94720, USA, ou_persistent22              
3Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, ou_persistent22              
4State Key Laboratory of Molecular Reaction Dynamics, Collaborative Innovation Center of Chemistry for Energy and Materials, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, P. R. China , ou_persistent22              
5Chemical Sciences Division, Lawrence Berkeley National Laboratory , Berkeley, CA 94720, USA, ou_persistent22              

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 Abstract: We report infrared multiple photon dissociation spectra of cryogenically-cooled (NaSO4)2(H2O)n dianions (n = 0–6, 8) in the spectral range of the sulfate stretching and bending modes (580–1750 cm−1). Characteristic absorption bands and structural trends are identified based on a comparison to harmonic spectra of minimum-energy structures. The bare quarternary complex (NaSO4)2 exhibits a C2h structure containing two fourfold-coordinated sodium cations in-between the two chelating sulfate dianions. Its stepwise solvation is driven by an interplay of SO42−–H2O and Na+–H2O interactions. The first water binds in a tridentate intersulfate-bridging fashion. The second and third water molecules bind to the sulfate groups at either end of the complex, which is followed by the onset of water hydrogen-bond network formation. In contrast to the binary ion pair, NaSO4, no clear evidence for the disruption of the quaternary ion complex upon microhydration is found up to n = 8, underlining its remarkable stability and suggesting that the formation of quaternary ion complexes plays a central role in the initial stages of prenucleation in aqueous Na2SO4 solutions.

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 Dates: 2015-09-252015-11-172016-01-07
 Publication Status: Published in print
 Pages: 11
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1039/C5CP05762K
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Title: Physical Chemistry Chemical Physics
  Abbreviation : Phys. Chem. Chem. Phys.
Source Genre: Journal
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Publ. Info: Cambridge, England : Royal Society of Chemistry
Pages: 11 Volume / Issue: 18 (1) Sequence Number: - Start / End Page: 267 - 277 Identifier: ISSN: 1463-9076
CoNE: https://pure.mpg.de/cone/journals/resource/954925272413_1