Results 221 to 230 of about 10,338 (283)

On the Roles of Protic Solvents in Imidazolidinone‐Catalyzed Transformations [PDF]

open access: yesAngewandte Chemie International Edition, 2011
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
openaire   +5 more sources

Proton solvation in protic and aprotic solvents

Journal of Computational Chemistry, 2016
Protonation 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, 2004
We 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]

open access: yesEuropean Journal of Inorganic Chemistry, 2001
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
openaire   +3 more sources

Dynamical behavior of the azide ion in protic solvents [PDF]

open access: yesChemical Physics Letters, 1993
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]

open access: yesJournal of Photochemistry and Photobiology A: Chemistry, 2006
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

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