The thermochromism of the ET(30) betaine in a micro-heterogeneous medium: a spectral and dynamics simulation study.

J Colloid Interface Sci

Facultad de Química y Biología, Universidad de Santiago, Santiago, Chile.

Published: September 2010

A spectral investigation of the thermochromic behavior of Reichardt's E(T)(30) betaine in aqueous solutions of block copolymers ("poloxamers") P407, P237 and P105 was carried out as a function of temperature and concentration. The betaine microenvironment at various stages of the micellization process in these systems was mimicked with the aid of molecular dynamics simulations of model systems. These consisted of the E(T)(30) probe in boxes of water molecules, in the presence of an isolated block copolymer of formula (PEO)(11)-(PPO)(16)-(PEO)(11), and of a micelle formed of 50 of these unimers.

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.jcis.2010.05.088DOI Listing

Publication Analysis

Top Keywords

et30 betaine
8
thermochromism et30
4
betaine micro-heterogeneous
4
micro-heterogeneous medium
4
medium spectral
4
spectral dynamics
4
dynamics simulation
4
simulation study
4
study spectral
4
spectral investigation
4

Similar Publications

60 Years of Betaine 30─From Solvatochromic Discovery to Future Frontiers.

J Phys Chem B

July 2024

Department of Chemistry, College of Arts and Sciences, Case Western Reserve University, Cleveland, Ohio 44106, United States.

Betaine-30 (B30) was reported by Karl Dimroth and Christian Reichardt et al. in 1963 as a solvatochromic probe that can be easily synthesized, shows good solubility, and remains stable in various organic solvents and solutions. Its strongly negatively solvatochromic behavior arises from differential solvation between its electronic ground and excited states, making it a valuable tool for assessing solvent polarity using the (30) polarity scale, also devised by Dimroth and Reichardt.

View Article and Find Full Text PDF

Today, the hydrogen bonding donation (HBD) ability parameter of new solvents, α, is generally determined either by the Kamlet-Taft solvatochromic comparison of two probes, Reichardt betaine dye B(30) and 4-nitroanisole, or by the measurement of a single probe (e.g., solvatochromism of an iron coordination complex).

View Article and Find Full Text PDF

Reichardt's empirical ET(30) polarity parameter has been established as appropriate polarity scale for ionic liquids. In this study, the relationships of ET(30) of ionic liquids with the empirical Kamlet-Taft polarity parameters α (hydrogen bond donating ability), β (hydrogen bond accepting ability) and π* (dipolarity/polarizability) as well as Catalán's parameter set SA (solvent acidity), SB (solvent basicity), SP (solvent polarizability) and SdP (solvent dipolarity) are examined by means of multiple square correlation analyses. Several subtasks were carried out to address this main concern.

View Article and Find Full Text PDF

Ionic liquid inspired alkalinochromic salts based on Reichardt's dyes for the solution phase and vapochromic detection of amines.

Anal Bioanal Chem

July 2018

Department of Chemistry, University of Missouri-Columbia, 601 S. College Ave., Chemistry Building, Columbia, MO, 65211, USA.

Chromogenic salts based on the negatively solvatochromic pyridinium N-phenolate betaines 2,6-diphenyl-4-(2,4,6-triphenyl-N-pyridino)-phenolate (Reichardt's dye 30) and 2,6-dichloro-4-(2,4,6-triphenyl-N-pyridino)-phenolate (Reichardt's dye 33) proved to be promising probes for the colorimetric detection of bases, including hydroxide ion, ammonia, and aliphatic amines. Specifically, the protonated halide forms of these two dyes were ion exchanged to generate lipophilic bis(trifluoromethylsulfonyl)imide derivatives, denoted [E(30)][TfN] and [E(33)][TfN], respectively. When dissolved in 95 vol% EtOH, these essentially colorless solutions displayed dramatic "alkalinochromic" color-on switching due to phenolic deprotonation to generate the zwitterionic form of the dyes with their characteristic charge-transfer absorption.

View Article and Find Full Text PDF

A fully polarizable implementation of the hybrid quantum mechanics/molecular mechanics approach is presented, where the classical environment is described through the AMOEBA polarizable force field. A variational formalism, offering a self-consistent relaxation of both the MM induced dipoles and the QM electronic density, is used for ground state energies and extended to electronic excitations in the framework of time-dependent density functional theory combined with a state specific response of the classical part. An application to the calculation of the solvatochromism of the pyridinium N-phenolate betaine dye used to define the solvent ET(30) scale is presented.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!