Protons and hydroxide ions in aqueous systems

N Agmon, HJ Bakker, RK Campen… - Chemical …, 2016 - ACS Publications
Understanding the structure and dynamics of water's constituent ions, proton and hydroxide,
has been a subject of numerous experimental and theoretical studies over the last century …

Infrared difference spectroscopy of proteins: from bands to bonds

VA Lorenz-Fonfria - Chemical reviews, 2020 - ACS Publications
Infrared difference spectroscopy probes vibrational changes of proteins upon their
perturbation. Compared with other spectroscopic methods, it stands out by its sensitivity to …

Ce-mediated molecular tailoring on gigantic polyoxometalate {Mo132} into half-closed {Ce11Mo96} for high proton conduction

XX Li, CH Li, MJ Hou, B Zhu, WC Chen, CY Sun… - Nature …, 2023 - nature.com
Precise synthesis of polyoxometalates (POMs) is important for the fundamental
understanding of the relationship between the structure and function of each building motif …

Vibrational signature of hydrated protons confined in MXene interlayers

M Lounasvuori, Y Sun, TS Mathis, L Puskar… - Nature …, 2023 - nature.com
The hydration structure of protons has been studied for decades in bulk water and
protonated clusters due to its importance but has remained elusive in planar confined …

Spectroscopic snapshots of the proton-transfer mechanism in water

CT Wolke, JA Fournier, LC Dzugan, MR Fagiani… - Science, 2016 - science.org
The Grotthuss mechanism explains the anomalously high proton mobility in water as a
sequence of proton transfers along a hydrogen-bonded (H-bonded) network. However, the …

Evolution of Solute–Water Interactions in the Benzaldehyde-(H2O)1–6 Clusters by Rotational Spectroscopy

W Li, C Pérez, AL Steber, M Schnell, D Lv… - Journal of the …, 2023 - ACS Publications
The investigation on the preferred arrangement and intermolecular interactions of gas phase
solute–water clusters gives insights into the intermolecular potentials that govern the …

Towards complete assignment of the infrared spectrum of the protonated water cluster H+(H2O)21

J Liu, J Yang, XC Zeng, SS Xantheas, K Yagi… - Nature …, 2021 - nature.com
The spectroscopic features of protonated water species in dilute acid solutions have been
long sought after for understanding the microscopic behavior of the proton in water with gas …

Recent advances in quantum fragmentation approaches to complex molecular and condensed‐phase systems

J Liu, X He - Wiley Interdisciplinary Reviews: Computational …, 2023 - Wiley Online Library
Quantum mechanical (QM) calculations are critical in quantitatively understanding the
relationship between the structure and physicochemical properties of various chemical …

How many water molecules are needed to solvate one?

A Rognoni, R Conte, M Ceotto - Chemical Science, 2021 - pubs.rsc.org
Many efforts undertaken to study the solvation process have led to general theories that may
describe mean properties, but are unable to provide a detailed understanding at the …

Snapshots of proton accommodation at a microscopic water surface: Understanding the vibrational spectral signatures of the charge defect in cryogenically cooled H+ …

JA Fournier, CT Wolke, MA Johnson… - The Journal of …, 2015 - ACS Publications
We review the role that gas-phase, size-selected protonated water clusters, H+ (H2O) n,
have played in unraveling the microscopic mechanics responsible for the spectroscopic …