Tuning CO<sub>2</sub> Absorption in Hydrophobic Protic Ionic Liquids via Temperature and Structure. [PDF]
Mazlan NAM +4 more
europepmc +1 more source
Solvatochromic and Computational Study of Three Benzo-[f]-Quinolinium Methylids with Photoinduced Charge Transfer. [PDF]
Avadanei MI, Avadanei OG, Dorohoi DO.
europepmc +1 more source
The Relationship Between Catalyst and Solvent in Hydrogenation via Condensed Phase Heterogeneous Catalysis. [PDF]
Floyd JB +3 more
europepmc +1 more source
On the Roles of Protic Solvents in Imidazolidinone‐Catalyzed Transformations [PDF]
Step by step: The effect of protic solvents on the rate and stereochemical outcome of the imidazolidinone-catalyzed Diels–Alder cycloaddition was rationalized. The following picture emerges: the solvent accelerates iminium ion formation (step 1), the Diels–Alder cycloaddition is reversible (step 2), and the solvent intercepts the iminium ion adduct ...
Brazier, John B. +3 more
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Proton solvation in protic and aprotic solvents
Journal of Computational Chemistry, 2016Protonation pattern strongly affects the properties of molecular systems. To determine protonation equilibria, proton solvation free energy, which is a central quantity in solution chemistry, needs to be known. In this study, proton affinities (PAs), electrostatic energies of solvation, and pKA values were computed in protic and aprotic solvents.
Emanuele Rossini, Ernst-Walter Knapp
exaly +3 more sources
Hydrogen-Bonded Encapsulation Complexes in Protic Solvents
Journal of the American Chemical Society, 2004We describe here the behavior of the hydrogen-bonded capsule 1.1 and its complexes in protic solvents. The kinetics and thermodynamics of the encapsulation process were determined through conventional (1)H NMR methods. The enthalpies and entropies of encapsulation are both positive, indicating a process that liberates solvent molecules.
Julius Rebek +2 more
exaly +3 more sources
Characterization and Reactivity of Triperoxo Vanadium Complexes In Protic Solvents [PDF]
ESI-MS and 51V NMR techniques have been used to detect the formation of vanadium triperoxo complexes in protic solvents. RHF/6-311++G(d,p) ab initio calculations were also carried out to address the structure and the energy requirements of vanadium peroxo species formed from vanadates and hydrogen peroxide.
M. Bonchio +3 more
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Dynamical behavior of the azide ion in protic solvents [PDF]
Abstract Molecular dynamics calculations based on rigid molecules have been used to study the solvation structure and dynamics of an azide ion in methanol and water. The ion is found to have either five to six methanols or six to seven waters in its solvation cage.
FERRARIO, Mauro +2 more
openaire +3 more sources
Solvatochromic effects on the fluorescence and triplet–triplet absorption of phenosafranine in protic and aprotic solvents [PDF]
Photophysical and spectroscopic properties of phenosafranine were investigated in 21 solvents, including pure aprotic solvents and pure and binary protic solvent mixtures.
CARLOS Previtali, Hernán A Montejano
exaly +3 more sources

