Protons and hydroxide ions in aqueous systems
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 …
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 …
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 …
understanding of the relationship between the structure and function of each building motif …
Vibrational signature of hydrated protons confined in MXene interlayers
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 …
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 …
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
The investigation on the preferred arrangement and intermolecular interactions of gas phase
solute–water clusters gives insights into the intermolecular potentials that govern the …
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
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 …
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 …
relationship between the structure and physicochemical properties of various chemical …
How many water molecules are needed to solvate one?
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 …
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 …
have played in unraveling the microscopic mechanics responsible for the spectroscopic …