Water orientation and hydrogen-bond structure at the fluorite/water interface
R Khatib, EHG Backus, M Bonn, MJ Perez-Haro… - Scientific reports, 2016 - nature.com
Water in contact with mineral interfaces is important for a variety of different processes. Here,
we present a combined theoretical/experimental study which provides a quantitative …
we present a combined theoretical/experimental study which provides a quantitative …
Gas phase detection of the NH–P hydrogen bond and importance of secondary interactions
We have observed the NH··· P hydrogen bond in a gas phase complex. The bond is
identified in the dimethylamine–trimethylphosphine complex by a red shift of the …
identified in the dimethylamine–trimethylphosphine complex by a red shift of the …
Spectroscopy and dynamics of double proton transfer in formic acid dimer
K Mackeprang, ZH Xu, Z Maroun, M Meuwly… - Physical Chemistry …, 2016 - pubs.rsc.org
We present the isolated gas phase infrared spectra of formic acid dimer,(HCOOH) 2, and its
deuterated counterpart formic-d acid,(DCOOH) 2, at room temperature. The formic acid …
deuterated counterpart formic-d acid,(DCOOH) 2, at room temperature. The formic acid …
Characterization of competing halogen-bonding and hydrogen-bonding motifs in the acetonitrile/hydrogen iodide dimer
MA Perkins, GS Tschumper - Chemical Physics, 2023 - Elsevier
Three different C 3 v configurations of the CH 3 CN/HI dimer have been characterized using
MP2 and CCSD (T) methods with large correlation consistent basis sets. All three stationary …
MP2 and CCSD (T) methods with large correlation consistent basis sets. All three stationary …
Existence of dimeric hydroxylamine-O-sulfonic acid: Experimental observations aided by ab initio, DFT, Car-Parrinello and Born–Oppenheimer on the fly dynamics
B Dutta, J Chowdhury - Chemical Physics Letters, 2019 - Elsevier
This paper reports detail study on the Raman and temperature dependent IR spectra of
hydroxylamine-O-sulfonic acid molecule. Complete vibrational analyses of the molecule …
hydroxylamine-O-sulfonic acid molecule. Complete vibrational analyses of the molecule …
Solvent response to fluorine-atom reaction dynamics in liquid acetonitrile
GT Dunning, D Murdock, GM Greetham… - Physical Chemistry …, 2015 - pubs.rsc.org
Time-resolved infra-red (IR) absorption spectroscopy is used to follow the production of HF
from the reaction of fluorine atoms in liquid acetonitrile (CH3CN). Photolysis of dissolved …
from the reaction of fluorine atoms in liquid acetonitrile (CH3CN). Photolysis of dissolved …