Surface or Internal Hydration - Does It Really Matter?

Christian van der Linde; Milan Ončák; Ethan M. Cunningham; Wai Kit Tang; Chi-Kit Siu; Martin K. Beyer

doi:10.1021/jasms.2c00290

Surface or Internal Hydration - Does It Really Matter?

Christian van der Linde, Milan Ončák, Ethan M. Cunningham, Wai Kit Tang, Chi-Kit Siu, Martin K. Beyer^*

^*Corresponding author for this work

Department of Chemistry

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

2 Citations (Scopus)

71 Downloads (CityUHK Scholars)

Abstract

The precise location of an ion or electron, whether it is internally solvated or residing on the surface of a water cluster, remains an intriguing question. Subtle differences in the hydrogen bonding network may lead to a preference for one or the other. Here we discuss spectroscopic probes of the structure of gas-phase hydrated ions in combination with quantum chemistry, as well as H/D exchange as a means of structure elucidation. With the help of nanocalorimetry, we look for thermochemical signatures of surface vs internal solvation. Examples of strongly size-dependent reactivity are reviewed which illustrate the influence of surface vs internal solvation on unimolecular rearrangements of the cluster, as well as on the rate and product distribution of ion-molecule reactions. © 2023 The Authors. Published by American Chemical Society.

Original language	English
Pages (from-to)	337-354
Journal	Journal of the American Society for Mass Spectrometry
Volume	34
Issue number	3
Online published	6 Feb 2023
DOIs	https://doi.org/10.1021/jasms.2c00290
Publication status	Published - 1 Mar 2023

Funding

Financial support from the Austrian Science Fund FWF, project nos. M2001 (MO), M3027 (EMC), nos. P28896, P29174 and W1259-N27 (DK Atoms, Light and Molecules) (MKB) is gratefully acknowledged. C.K.S. thanks the Research Grants Council of Hong Kong Special Administrative Region for financial support (project nos. CityU 11304519 and CityU 11305420).

Publisher's Copyright Statement

This full text is made available under CC-BY 4.0. https://creativecommons.org/licenses/by/4.0/

RGC Funding Information

RGC-funded

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10.1021/jasms.2c00290

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@article{84fec6dcae71437da4e3b0ca623ed782,

title = "Surface or Internal Hydration - Does It Really Matter?",

abstract = "The precise location of an ion or electron, whether it is internally solvated or residing on the surface of a water cluster, remains an intriguing question. Subtle differences in the hydrogen bonding network may lead to a preference for one or the other. Here we discuss spectroscopic probes of the structure of gas-phase hydrated ions in combination with quantum chemistry, as well as H/D exchange as a means of structure elucidation. With the help of nanocalorimetry, we look for thermochemical signatures of surface vs internal solvation. Examples of strongly size-dependent reactivity are reviewed which illustrate the influence of surface vs internal solvation on unimolecular rearrangements of the cluster, as well as on the rate and product distribution of ion-molecule reactions. {\textcopyright} 2023 The Authors. Published by American Chemical Society.",

author = "{van der Linde}, Christian and Milan On{\v c}{\'a}k and Cunningham, {Ethan M.} and Tang, {Wai Kit} and Chi-Kit Siu and Beyer, {Martin K.}",

year = "2023",

month = mar,

day = "1",

doi = "10.1021/jasms.2c00290",

language = "English",

volume = "34",

pages = "337--354",

journal = "Journal of the American Society for Mass Spectrometry",

issn = "1044-0305",