Issue 30, 2022
From the journal:

Physical Chemistry Chemical Physics

Gas phase acidity of water clusters†

Amit Kumara  and  Pradeep Kumar ORCID logo *a  

* Corresponding authors

a Department of Chemistry, Malaviya National Institute of Technology Jaipur, Jaipur, India
E-mail: pradeep.chy@mnit.ac.in

Abstract

In the present work, we have estimated the gas-phase acidity of different water clusters, i.e., (H2O)n, n = 1–20, 30, 35, 42, 54, 80, and 100. The present work indicates that the gas-phase acidity of the terminal hydrogen atom increases with the size of water clusters and starts converging at (H2O)30. Furthermore, the present work also indicates that the gas-phase acidity of a terminal hydrogen atom is higher than that of the corresponding bulk hydrogen atom for the same size of water cluster.

Graphical abstract: Gas phase acidity of water clusters

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Article information

DOI
https://doi.org/10.1039/D2CP01578A
Article type
Paper
Submitted
05 Apr 2022
Accepted
06 Jul 2022
First published
14 Jul 2022

Phys. Chem. Chem. Phys., 2022,24, 18236-18244

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Gas phase acidity of water clusters

A. Kumar and P. Kumar, Phys. Chem. Chem. Phys., 2022, 24, 18236 DOI: 10.1039/D2CP01578A

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