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 …
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 …
Cryogenic ion trap vibrational spectroscopy of hydrogen-bonded clusters relevant to atmospheric chemistry
Recent advances in the gas phase vibrational spectroscopy of mass-selected ions are
described, highlighting experiments on hydrogen-bonded (HBed) clusters relevant to …
described, highlighting experiments on hydrogen-bonded (HBed) clusters relevant to …
Magic numbers and stabilities of photoionized water clusters: Computational and experimental characterization of the nanosolvated hydronium ion
The stability and distributions of small water clusters generated in a supersonic beam
expansion are interrogated by tunable vacuum ultraviolet (VUV) radiation generated at a …
expansion are interrogated by tunable vacuum ultraviolet (VUV) radiation generated at a …
Intra-cluster Charge Migration upon Hydration of Protonated Formic Acid Revealed by Anharmonic Analysis of Cold Ion Vibrational Spectra
The rates of many chemical reactions are accelerated when carried out in micron-sized
droplets, but the molecular origin of the rate acceleration remains unclear. One example is …
droplets, but the molecular origin of the rate acceleration remains unclear. One example is …
Spectral signatures of excess-proton waiting and transfer-path dynamics in aqueous hydrochloric acid solutions
The theoretical basis for linking spectral signatures of hydrated excess protons with
microscopic proton-transfer mechanisms has so far relied on normal-mode analysis. We …
microscopic proton-transfer mechanisms has so far relied on normal-mode analysis. We …
[HTML][HTML] IR spectral assignments for the hydrated excess proton in liquid water
The local environmental sensitivity of infrared (IR) spectroscopy to a hydrogen-bonding
structure makes it a powerful tool for investigating the structure and dynamics of excess …
structure makes it a powerful tool for investigating the structure and dynamics of excess …
Structure and spectroscopy of hydrated sodium ions at different temperatures and the cluster stability rules
The sodium cation plays an important role in several physiological processes.
Understanding its solvation may help understanding ion selectivity in sodium channels that …
Understanding its solvation may help understanding ion selectivity in sodium channels that …
Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effects
We use cryogenic ion trap vibrational spectroscopy to study the structure of the protonated
water pentamer, H+ (H2O) 5, and its fully deuterated isotopologue, D+ (D2O) 5, over nearly …
water pentamer, H+ (H2O) 5, and its fully deuterated isotopologue, D+ (D2O) 5, over nearly …
Global and local minima of protonated acetonitrile clusters
Understanding the proton transfer processes in acetonitrile is subjected to the knowledge of
the structures of protonated acetonitrile clusters, H+ (MeCN) n. Despite their importance …
the structures of protonated acetonitrile clusters, H+ (MeCN) n. Despite their importance …