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Solvent effects

About: Solvent effects is a(n) research topic. Over the lifetime, 17552 publication(s) have been published within this topic receiving 436125 citation(s). The topic is also known as: solvent effect & solvent dependence.

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Journal ArticleDOI
01 Feb 1981-Chemical Physics
Abstract: A method is presented which utilizes the calculation of the molecular electrostatic potential or the electric field at a discrete number of preselected points to evaluate the environmental effects of a solvent on the properties of a molecular system. No limitations are imposed on the composition and dimension of the solute, on the goodness of the corresponding wavefunction, or on the shape of the cavity in the dielectric. Several levels of approximation, which evidence the effect of self-polarization of the system of surface charges, the influence of the tails of the solute charge distribution going beyond the limits of the cavity, and the effect of the polarization of the solute, are examined and discussed.

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6,963 citations


MonographDOI
12 Dec 2002-
Abstract: INTRODUCTION SOLUTE-SOLVENT INTERACTIONS Solutions Intermolecular Forces Solvation Preferential Solvation Micellar Solvation (Solubilization) Ionization and Dissociation CLASSIFICATION OF SOLVENTS Classification of Solvents According to Chemical Constitution Classification of Solvents Using Physical Constants Classification of Solvents in Terms of Acid-Base Behaviour Classification of Solvents in Terms of Specific Solute/Solvent Interactions Classification of Solvents Using Multivariate Statistical Methods SOLVENT EFFECTS ON THE POSITION OF HOMOGENEOUS CHEMICAL EQUILIBRIA General Remarks Solvent Effects on Acid/Base Equilibria Solvent Effects on Tautomeric Equilibria Solvent Effects on other Equilibria SOLVENT EFFECTS ON THE RATES OF HOMOGENEOUS CHEMICAL REACTIONS General Remarks Gas-Phase Reactivities Qualitative Theory of Solvent Effects on Reaction Rates Quantitative Theories of Solvent Effects on Reaction Rates Specific Solvation Effects on Reaction Rates SOLVENT EFFECTS ON THE ABSORPTION SPECTRA OF ORGANIC COMPOUNDS General Remarks Solvent Effects on UV/Vis Spectra Solvent Effects on Infrared Spectra Solvent Effects on Electron Spin Resonance Spectra Solvent Effects on Nuclear Magnetic Resonance Spectra EMPIRICAL PARAMETERS OF SOLVENT POLARITY Linear Gibbs Energy Relationships Empirical Parameters of Solvent Polarity from Equilibrium Measurements Empirical Parameters of Solvent Polarity from Kinetic Measurements Empirical Parameters of Solvent Polarity from Spectroscopic Measurements Empirical Parameters of Solvent Polarity from Other Measurements Interrelation and Application of Solvent Polarity Parameters Multiparameter Approaches SOLVENTS AND GREEN CHEMISTRY Green Chemistry Reduction of Solvent Use Green Solvent Selection Non-Traditional Solvents Outlook APPENDIX: PROPERTIES, PURIFICATION, AND USE OF ORGANIC SOLVENTS Physical Properties Purification of Organic Solvents Spectroscopic Solvents Solvents as Reaction Media Solvents for Recrystallization Solvents for Extraction and Partitioning (Distribution) Solvents for Adsorption Chromatography Solvents for Acid/Base Titrations in Non-Aqueous Media Solvents for Electrochemistry Toxicity of Organic Solvents

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5,329 citations


Journal ArticleDOI
Abstract: sorption results9 revealed that the iron surface was mostly covered by promoter oxides of AI, Ca, and K. Postreaction XPS results also revealed a C( Is) XPS peak of weak to moderate intensity centered at 284.1-283.7 eV. This binding energy approaches those (ca. 283.5 eV) reported for iron cat bide^.^^*'^ More convincing evidence for carbide formation was obtained from TPHT results collected after reaction studies like those displayed in Figure 1 in which methane was the only product. After reaction at temperatures below 340 OC, only small amounts of reactive carbon could be distinguished with maximum methane desorption rates near 300 OC. However, for higher reaction temperatures, large amounts of methane were produced with a maximum rate just above 400 OC. Since XPS results revealed only small amounts of carbonaceous residue on top of the catalyst surface, this reactive carbon must be associated with carbiding of the catalyst. Consequently, it appears that the active carbon incorporation catalyst is carbided iron. This conclusion is well supported by bulk carbon to iron stoichiometries of 0.1-0.25 estimated from the TPHT peak areas which were adequate to represent 40-60'36 conversion to bulk carbides such as Fe,C or FeSC2. Moreover, preliminary results from studies using bona fide iron carbides have shown similar catalytic b e h a ~ i o r . ~

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3,390 citations


Book
29 Oct 1991-
Abstract: INTRODUCTION THERMODYNAMICS Cohesive Energy Cohesive Pressure and the Hildebrand Parameter Thermodynamic Equation of State Empirical Equations of State Units and Conversion Factors Mixtures Phase Separation MOLECULAR INTERACTIONS Electrical Properties Dipole-Dipole Interactions Dipole-Induced Dipole Interactions Induced Dipole-Induced Dipole Interactions Spectroscopic Studies Positron Annihilation REGULAR SOLUTIONS AND THE HILDEBRAND PARAMETER Geometric Mean Approximation Hildebrand-Scatchard Equation Limitations of the Hildebrand-Scatchard Equation Mixed Liquids and Multicomponent Systems Solvent Spectra Wilson Equation EXPANDED COHESION PARAMETERS Dispersion Orientation Induction Lewis Acid-Base Hydrogen-Bonding Association Combination of Component Cohesion Parameters Empirical Corrections for Geometric Mean Deviations Polar-Nonpolar Cohesion Parameters Hansen Parameters Fractional Three-Component Cohesion Parameters Other Two- and Three-Component Cohesion Parameters Other Multi-Component Cohesion Parameters Modified Separation of Cohesive Energy Density Liquid Metals CALCULATED COHESION PARAMETERS Group Molar Vaporization Enthalpy Group Molar Cohesive Energy Molar Additive Functions Group Molar Attraction Constants Group Molar Volumes Group Cohesion Parameters Homomorphs and Dispersion Cohesion Parameters Hansen Parameter Group Contributions Participating and Nonparticipating Groups Comparison of Methods LIQUID PHASES Vaporization Enthalpy Vapor Pressure Boiling Point Corresponding States Internal Pressure and Cohesive Pressure Liquid-Liquid Miscibility Binary Solvents Activity Coefficients in Liquid-Liquid Systems Complexes Solvent-Aided Separation Liquid Extraction Acidity-Basicity Linear Energy Scales SOLVENT SCALES Hydrogen Bonding Electrostatic Parameters and Empirical Relationships Single Component Donor-Acceptor Parameters Hybrid Cohesion Parameter Solvent Scales Practical Solvent Scales EFFECTS OF PHYSICAL CONDITIONS Temperature Density, Volume and Pressure Concentration KINETIC AND TRANSPORT PROCESSES Kinetic Solvent Effects Transition State Theory Rates and Mechanisms Polymerization and Polymer Reactions Viscosity Other Time-Dependent Properties GASES Nomenclature Hildebrand Parameters and Gas Solubilities Compressed Gases Supercritical Extraction Vapor-Liquid Equilibria in Mixtures Henry's Law SOLIDS Activities and Solubilities Cohesion Parameters for Nonionic Solid Solutes Ionic Systems POLYMER SOLUTIONS Physical Properties of Polymers The Polymer-Liquid Reference Solution Polymer-Liquid Interaction Parameters Limitations on Interaction Parameters Interaction Parameters and Cohesion Parameters Cosolvency and Co-Nonsolvency Theta Temperature and Theta Solvents Segment Interaction Equation DETERMINATION OF POLYMER COHESION PARAMETERS Hildebrand Parameter Values Hildebrand Parameters from Polymer-Liquid Interaction Parameters Solubility/Swelling Spectrum Methods Turbidimetric Titrations Hansen Parameters Other Cohesion Parameters Solution Viscosity Calculation of Polymer Cohesion Parameters Effects of Temperature, Concentration, Molecular Weight POLYMER MAPS AND MODELS Cohesion Parameter Maps and Models Hybrid Maps and Models CORRELATION OF POLYMER PROPERTIES WITH COHESION PARAMETERS Electrical Properties Mechanical Properties Thermal Transitions and Plasticization Environment-Induced Degradation Radiation Interactions With Gases and Liquids Permeation Interactions With Low Molecular Weight Solids Polymer-Polymer Interactions Copolymers Natural Polymers SURFACES AND INTERFACES Interfacial Free Energy Interfacial Free Energies and Cohesion Parameters Component Surface Free Energies and Cohesion Parameters Multicomponent Systems Wetting, Adhesion, Lubrication, Powders Adsorption Micelles, Colloids, Emulsions, Foams, Surfactants Dispersion of Pigments and Dyes Surface Contamination and Cleaning CHROMATOGRAPHY Component Cohesion Parameter Expressions GLC Interactions of Polymers and Plasticizers With Liquids GLC Studies of Nonpolymer Systems Liquid Chromatography Supercritical Fluid Chromatography Liquid-Solid Chromatography and Gel Chromatography BIOLOGICAL SYSTEMS Hansch Lipophilic Parameter Effects and Transmission Rates of Biologically-Active Materials Prosthetic Materials Other Biological Systems

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1,926 citations


Journal ArticleDOI
Alexander M. Klibanov1Institutions (1)
11 Jan 2001-Nature
TL;DR: The technological utility of enzymes can be enhanced greatly by using them in organic solvents rather than their natural aqueous reaction media, and they have found numerous potential applications, some of which are already commercialized.

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Abstract: The technological utility of enzymes can be enhanced greatly by using them in organic solvents rather than their natural aqueous reaction media. Studies over the past 15 years have revealed not only that this change in solvent is feasible, but also that in such seemingly hostile environments enzymes can catalyse reactions impossible in water, become more stable, and exhibit new behaviour such as 'molecular memory'. Of particular importance has been the discovery that enzymatic selectivity, including substrate, stereo-, regio- and chemoselectivity, can be markedly affected, and sometimes even inverted, by the solvent. Enzyme-catalysed reactions in organic solvents, and even in supercritical fluids and the gas phase, have found numerous potential applications, some of which are already commercialized.

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1,820 citations


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Performance
Metrics
No. of papers in the topic in previous years
YearPapers
20228
2021309
2020273
2019289
2018313
2017374

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Topic's top 5 most impactful authors

John Burgess

28 papers, 282 citations

Hongkun Zhao

26 papers, 268 citations

Benedetta Mennucci

25 papers, 1.6K citations

Reza Ghiasi

24 papers, 296 citations

Vincenzo Barone

23 papers, 3.9K citations