Journal Article

PUBDB-2024-00630

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Electric nuclear quadrupole coupling reveals dissociation of HCl with a few water molecules

Xie, F. (Corresponding author)Extern*DESY* ; Tikhonov, D.DESY* ; Schnell, M. (Corresponding author)CFEL*DESY*

2024
Assoc. Washington, DC

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Please use a persistent id in citations: doi:10.1126/science.ado7049  doi:10.3204/PUBDB-2024-00630

Abstract: Investigating the dissociation of acids in the presence of a limited number of water molecules is crucial for understanding various elementary chemical processes. In our study focusing on HCl(H$_2$O)$_n$ clusters formed in a cold and isolated jet expansion, we utilized the nuclear quadrupole coupling tensor obtained via rotational spectroscopy to decipher the nature of the H-Cl chemical bond in a micro-aqueous environment. For n = 1 to 4, the H-Cl bond is covalent. At n = 5 and 7, the contact ion pair of H$_3$O$^+$Cl$^−$ is spontaneously formed within the hydrogen bond networks of “book” and “cube” acid-water clusters, respectively.

Note: We acknowledge financial support by the Deutsche Forschungsgemeinschaft in the context of the priority program SPP1807. F.X. acknowledges the support of the Alexander von Humboldt postdoctoral fellowship.

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Contributing Institute(s):

1. Spectroscopy of molecular processes (FS-SMP)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)

Experiment(s):

1. No specific instrument

Appears in the scientific report 2024

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