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Modeling the interaction of a neutral polymer with small ions in solution. A theoretical study of ion binding to a neutral polymer
(Kluwer Academic Publishers, 1992)
The interaction between NaCl and 1,2-dimethoxyethylene is used to model ion binding to a neutral polymer. The relative binding energies involving different ion-polymer structures were calculated using minimal basis STO-3G ...
Microphase separation and aggregate self-assembly in brushes of oppositely charged polyelectrolytes triggered by ion pairing
(American Institute of Physics, 2020-10)
This work applies a molecular theory to study the formation of lateral self-assembled aggregates in mixed brushes composed of polyanion and polycation chains. In order to overcome the well-known limitations of mean-field ...
A model for the effect of ion pairing on an outer sphere electron transfer
(Royal Society of Chemistry, 2020-05)
Ion pairing can strongly affect the rates of electron transfer reactions. To explain this effect we propose a model Hamiltonian which describes the interactions between the pairing ion and the reactant, solvent and inner ...
Ion pair stabilization effects on a series of procaine structural analogs
(ELSEVIER SCIENCE BV, 2010)
In this work, a series of 10 structural procaine analogs have been synthesized in order to investigate the structural features affecting the stability of ion pair formation and its influence on the lipophilicity of ionizable ...
Sensitive determination of terazosin by x-ray fluorescence spectrometry based on the formation of ion-pair associates with zinc thiocyanate
(John Wiley & Sons Ltd, 2007-07)
A new, simple and precise indirect method for the determination of terazosin through x-ray fluorescence (XRF) is proposed. The method is based on the precipitation of an ion-associate complex formed between terazosin and ...
Ion transfer of weak acids across liquid | liquid interfaces
(Elsevier Science Sa, 2016-08-12)
The main purpose of this paper is to develop a model for the ion transfer of weak acids across liquid | liquid interfaces including ion pairing and non-ideal electrolyte solutions to calculate the half-wave potential. The ...
Determinação e avaliação da concentração de ânions por cromatografia líquida de alta eficiência com pareamento iônico em águas superficiais
(Universidade Federal de Juiz de ForaBrasilICE – Instituto de Ciências ExatasPrograma de Pós-graduação em QuímicaUFJF, 2016)
Proton Transfer in Water Polymers as a Model for Intime and Solvent-Separated Ion Pairs
(American Chemical Society, 1983-07-19)
SCF-CNDO/2 calculations, including the continuum solvent effects via an extended version of the generalized Born formula,
have been performed for H30+··.(H20) •.•. OH- and (H20) •... Hp+ ... OH- species (n = 0,1,2). The ...
Proton Transfer in Water Polymers as a Model for Intime and Solvent-Separated Ion (20) Dressick, W. J., unpublished results. Pairs
(American Chemical Society, 1984)
SCF-CNDO/2 calculations, including the continuum solvent effects via an extended version of the generalized Born formula,
have been performed for H30+.-.(H20),..a-ndO H(-H 20),..-H.3O0Ht--s p.ec ies (n = 0, 1,2). The ...
Ion pair method to determine the CTAB content in gold nanorods samples
(Sociedad Chilena de Quimica, 2015)
In this work, we report a fast and accessible method for quantification of cetyltrimethylammonium bromide (CTAB) in solutions of gold nanorods (GNRs) by bromophenol blue (BPB) ion-paring formation and spectrophotometric ...