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About 10,000 papers for “Solvent effects”

Solvent effects

J. Burgess, J. Burgess · Inorganic Reaction Mechanisms · 1974

Cited by 3

Solvent Effects

S. K. Collins · Stereoselective Synthesis 1 Stereoselective Reactions of Carbon—Carbon Double Bonds · 2011

Cited by 0

Affinity Solvent Effects

Comiskey, Aidan · Zenodo (CERN European Organization for Nuclear Research) · 2024

Corresponding Manuscript: Solvent Effects in Boronic Acid-Diol Binding Manuscript Authors: Aidan Comiskey (Columbia University), Dr. Eric V Anslyn (University of Texas at Austin) This repository contains raw UV/vis absorbance spectra, experimental parameters, and curvefitting parameters for a series of boronic acid-diol titrations. It also contains the code used to analyze this data, along with the output files, including plots and tables.

Cited by 0Open access

Affinity Solvent Effects

Comiskey, Aidan · Zenodo (CERN European Organization for Nuclear Research) · 2024

Corresponding Manuscript: Solvent Effects in Boronic Acid-Diol Binding Manuscript Authors: Aidan Comiskey (Columbia University), Dr. Eric V Anslyn (University of Texas at Austin) This repository contains raw UV/vis absorbance spectra, experimental parameters, and curvefitting parameters for a series of boronic acid-diol titrations. It also contains the code used to analyze this data, along with the output files, including plots and tables.

Cited by 1Open access

Solvent effects in copolymerization

K. F. O’Driscoll, Thomas P. Davis, Bert Klumperman et al. · Macromolecular Rapid Communications · 1995

Abstract Extension of the Mayo‐Lewis Model of copolymerization concerning solvent effects in free‐radical polymerization is discussed on the basis of the bootstrap and penultimate unit effects.

Cited by 8Open access

Solvent effects on equilibria.

Welsh, Harold Kirkland · The Sydney eScholarship Repository (The University of Sydney) · 1949

The modern transition state theory of reaction rates (Glasstone, Iaidler and Eyring, 1941) considers the formation of a complex, intermediate between reactants and resultants, which it treats as a definite molecular species having the usual thermodynamic functions of stable molecules.

Cited by 0

STERIC, SOLVENT EFFECTS UNCOUPLED

Chemical & Engineering News · 2002

RETURN TO ISSUEPREVNewsNEXTSTERIC, SOLVENT EFFECTS UNCOUPLEDResearchers deepen understanding of steric effects in ionic reactionsCite this: Chem. Eng. News 2002, 80, 12, 10Publication Date (Print):March 25, 2002Publication History Published online13 November 2010Published inissue 25 March 2002https://doi.org/10.1021/cen-v080n012.p010Copyright © 2002 AMERICAN CHEMICAL SOCIETYArticle Views8Altmetric-Citations-LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (306 KB) SUBJECTS:Solvation,Substitution reactions Get e-Alerts

Cited by 0

Solvent Effects in Chemistry

Erwin Buncel, Robert A. Stairs · 2015

This book introduces the concepts, theory and experimental knowledge concerning solvent effects on the rate and equilibrium of chemical reactions of all kinds. It begins with basic thermodynamics and kinetics, building on this foundation to demonstrate how a more detailed understanding of these effects may be used to aid in determination of reaction mechanisms, and to aid in planning syntheses. Consideration is given to theoretical calculations (quantum chemistry, molecular dynamics, etc.), to statistical methods (chemometrics), and to modern day concerns such as "green" chemistry, where ut

Cited by 10

Theories of Solvent Effects

2015

The ultimate goal in modeling a reaction in solution is to show, by modeling the interaction of dissolved reactants, activated complexes, and products with solvent molecules, how changing the solvent affects the rate or equilibrium of a reaction. To study the solvation of a single solute species, we may consider a two-stage model representing, first, an assembly of solvent molecules plus an isolated solute molecule or ion and, second, the same solute now surrounded by the solvent. There is a group of methods labeled integral equation theories. Quantum-mechanical calculations on single molecules can be done at different levels of theory. Two distinct methods are employed: the Monte Carlo (MC) method, which can yield only equilibrium properties, and molecular dynamics (MD), which can yield information about both equilibrium properties and time-dependent processes.

Cited by 0

Effects of solvent structure in polyvinyl chloride‐solvent systems

Robert L. Adelman, Isabel Klein · Journal of Polymer Science · 1958

Abstract A study was made of the solubility of a high molecular weight polyvinyl chloride in a wide variety of solvents at room temperature. Many powerful solvents and solvent combinations for the polymer were demonstrated. A number of combination of N, N‐disubstituted amides with other classes of solvents, including the cyclic ethers, aliphatic ketones, alkyl‐substituted pyridines, and aromatic hydrocarbons, were found to have synergistic solvent action. The solvent power of many pure and mixed solvents appear to be qualitatively predictable from molecular structure in terms of: ( a ) the electron donor capacity of the solvent, ( b ) steric hindrance to approach of the electron donor center of the solvent to the polymer, and ( c ) effective solvent bulk for keeping the polymer chains well separated. The solubility parameter concept does not appear to be applicable for predicting solvent power in the systems studied.

Cited by 37

Solvent effects on hydrogen bonding

Nicole Yvette Meredith · ERA · 2019

Determining the strength of H-bonds in solution can be challenging due to competing solvent interactions, especially in biologically relevant polar solvents such as water. In this thesis, various molecular balance designs are used to quantify the strength of H-bonds in solution. Chapter 1 presents a literature review on optimising H-bond interactions, with a focus on experimental systems previously used to quantify the strength of H-bonds in different solvents. Chapter 2 investigates the effectiveness of implicit solvation models for predicting the thermodynamic behaviour of different solvents using a simple series of molecular balances. Computationally determined equilibrium energies are compared with experimental values. Generally, the implicit solvation models are found to have good correlations in non-polar solvents, but poorer results are observed when moving onto more polar solvents. Chapter 3 provides an experimental study of organic and aqueous solvent effects on intramolecular H-bonding between amide and anilines. Several series of compounds are investigated, where both H-bond geometry and conformational flexibility are varied. Thermodynamic information is derived from the balances and the experimental data examined further by plotting against computational results and fitting with a semi-empirical solvation model. Chapter 4 presents a study on solvent effects on H-bond cooperativity. A phenol, catechol and pyrogallol molecular balance series are synthesised and experimental energies are derived. Three different types of behaviour are observed depending on the acceptor ability of the solvent.

Cited by 1Open access