[HTML][HTML] How water interacts with the NOH group: The rotational spectrum of the 1: 1 N, N-diethylhydroxylamine· water complex

G Salvitti, F Baroncelli, C Nicotri, L Evangelisti… - Molecules, 2022 - mdpi.com
The rotational spectrum of the 1: 1 N, N-diethylhydroxylamine-water complex has been
investigated using pulsed jet Fourier transform microwave spectroscopy in the 6.5–18.5 GHz …

Internal dynamics of cyclohexanol and the cyclohexanol–water adduct

M Juanes, W Li, L Spada, L Evangelisti… - Physical Chemistry …, 2019 - pubs.rsc.org
Two conformers of cyclohexanol and the cyclohexanol–water adduct have been
characterized in a jet expansion using rotational spectroscopy. In the gas phase …

Higher-energy hexafluoroisopropanol··· water isomer and its large amplitude motions: Rotational spectra and DFT calculations

B Wu, AS Hazrah, NA Seifert, S Oswald… - The Journal of …, 2021 - ACS Publications
Rotational spectra of the 1, 1, 1, 3, 3, 3-hexafluoro-2-propanol (HFIP)··· water complex were
measured using a chirped pulse Fourier-transform microwave spectrometer. The spectral …

Conformational changes in hydroxyl functional groups upon hydration: the case study of endo fenchol

EM Neeman, TR Huet - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
The hydration of endo-fenchol has been studied in the gas phase using a combination of
Fourier transform microwave spectroscopy coupled to a supersonic jet expansion and …

The Challenging Conformational Landscape of Cysteamine···H2O Revealed by the Strong Interplay of Rotational Spectroscopy and Quantum Chemical Calculations

W Song, A Maris, CN Cummings… - The Journal of …, 2024 - ACS Publications
A 1: 1 molecular complex of cysteamine with water is shown to adopt a cage-like structure
where cysteamine accepts a relatively strong hydrogen bond from water while also …

A theoretical study on intermolecular hydrogen bonds of isopropanol-water clusters

S Guo, C Zhu, G Chen, J Gu, C Ma, H Gao, L Li… - Theoretical Chemistry …, 2022 - Springer
In this work, the possible molecular association structure in isopropanol-water solution has
been analyzed by density functional theory (DFT) calculations. The properties of the …

Tunnelling and barrier-less motions in the 2-fluoroethanol–water complex: A rotational spectroscopic and ab initio study

W Huang, J Thomas, W Jäger, Y Xu - Physical Chemistry Chemical …, 2017 - pubs.rsc.org
The pure rotational spectrum of the 2-fluoroethanol (2-FE)⋯ water complex was measured
using a chirped pulse Fourier-transform microwave spectrometer and a cavity-based Fourier …

The conformational landscape of myrtenol: The structure of the hydroxymethyl group and its robustness upon hydration

EM Neeman, N Osseiran, TR Huet - The Journal of Chemical Physics, 2022 - pubs.aip.org
The conformational landscape of myrtenol (2-pinen-10-ol) and its robustness upon hydration
were investigated theoretically and experimentally by employing a synergic combination of …

[HTML][HTML] Hydrogen Bonding in the Dimer and Monohydrate of 2-Adamantanol: A Test Case for Dispersion-Corrected Density Functional Methods

M Juanes, RT Saragi, C Pérez, L Evangelisti… - Molecules, 2022 - mdpi.com
Weakly-bound intermolecular clusters constitute reductionist physical models for non-
covalent interactions. Here we report the observation of the monomer, the dimer and the …

A spectroscopic and ab initio study of the hydrogen peroxide–formic acid complex: hindering the internal motion of H 2 O 2

LY Li, NA Seifert, F Xie, M Heger, Y Xu… - Physical Chemistry …, 2018 - pubs.rsc.org
The microwave spectrum of the hydrogen-bonded hydrogen peroxide–formic acid complex
was measured in the range from 4 to 17 GHz. Assignment of transitions and analyses of the …