Demystifying the diffuse vibrational spectrum of aqueous protons through cold cluster spectroscopy

HJ Zeng, MA Johnson - Annual Review of Physical Chemistry, 2021 - annualreviews.org
The ease with which the pH is routinely determined for aqueous solutions masks the fact that
the cationic product of Arrhenius acid dissolution, the hydrated proton, or H+ (aq), is a …

Deconstructing water's diffuse OH stretching vibrational spectrum with cold clusters

N Yang, CH Duong, PJ Kelleher, AB McCoy… - Science, 2019 - science.org
The diffuse vibrational envelope displayed by water precludes direct observation of how
different hydrogen-bond topologies dictate the spectral response of individual hydroxy group …

Ion-mediated hydrogen-bond rearrangement through tunnelling in the iodide–dihydrate complex

P Bajaj, JO Richardson, F Paesani - Nature chemistry, 2019 - nature.com
A microscopic picture of hydrogen-bond structure and dynamics in ion hydration shells
remains elusive. Small ion–dihydrate molecular complexes are ideal systems with which to …

Evaluation of common theoretical methods for predicting infrared multiphotonic dissociation vibrational spectra of intramolecular hydrogen-bonded ions

AF Rodrigues-Oliveira, FW M. Ribeiro, G Cervi… - ACS …, 2018 - ACS Publications
Infrared photodissociation analyses are supported by theoretical calculations that allow a
trustworthy interpretation of experimental spectra of gaseous ions. B3LYP calculations are …

[HTML][HTML] Electronic and mechanical anharmonicities in the vibrational spectra of the H-bonded, cryogenically cooled X−· HOCl (X= Cl, Br, I) complexes …

SJ Stropoli, T Khuu, MA Boyer, NV Karimova… - The Journal of …, 2022 - pubs.aip.org
We report vibrational spectra of the H 2-tagged, cryogenically cooled X−· HOCl (X= Cl, Br,
and I) ion–molecule complexes and analyze the resulting band patterns with electronic …

Structural Motifs in Cold Ternary Ion Complexes of Hydroxyl-Functionalized Ionic Liquids: Isolating the Role of Cation–Cation Interactions

FS Menges, HJ Zeng, PJ Kelleher… - The Journal of …, 2018 - ACS Publications
We address the competition between intermolecular forces underlying the recent
observation that ionic liquids (ILs) with a hydroxyl-functionalized cation can form domains …

Capturing intrinsic site-dependent spectral signatures and lifetimes of isolated OH oscillators in extended water networks

N Yang, CH Duong, PJ Kelleher, MA Johnson - Nature Chemistry, 2020 - nature.com
The extremely broad infrared spectrum of water in the OH stretching region is a
manifestation of how profoundly a water molecule is distorted when embedded in its …

Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl·IOH Complex with Cryogenic Ion Vibrational Spectroscopy

SJ Stropoli, T Khuu, JP Messinger… - The Journal of …, 2022 - ACS Publications
In the presence of a halide ion, hypohalous acids can adopt two binding motifs upon
formation of the ion–molecule complexes [XHOY]−(X, Y= Cl, Br, I): a hydrogen (HB) bond to …

Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled H9O4+ Cation with Two-Color, IR–IR Double-Resonance Photoexcitation …

CH Duong, N Yang, PJ Kelleher… - The Journal of …, 2018 - ACS Publications
We report vibrational spectra of the cryogenically cooled H9O4+ cation along with those of
the D2 tagged HD8O4+ isotopomers using two variations on a two-color, IR–IR double …

Isolating the contributions of specific network sites to the diffuse vibrational spectrum of interfacial water with isotopomer-selective spectroscopy of cold clusters

N Yang, T Khuu, S Mitra, CH Duong… - The Journal of …, 2020 - ACS Publications
Decoding the structural information contained in the interfacial vibrational spectrum of water
requires understanding how the spectral signatures of individual water molecules respond …