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Related Concept Videos

Solubility Equilibria03:07

Solubility Equilibria

Solubility equilibria are established when the dissolution and precipitation of a solute species occur at equal rates. These equilibria underlie many natural and technological processes, ranging from tooth decay to water purification. An understanding of the factors affecting compound solubility is, therefore, essential to the effective management of these processes. This section applies previously introduced equilibrium concepts and tools to systems involving dissolution and precipitation.
The...
Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
The internal reference compound generally used in NMR spectroscopy is tetramethylsilane (TMS). TMS is preferred because it is chemically inert, soluble in NMR solvents, and easily removable. Also, the highly shielded methyl protons in TMS yield an intense...
Solubility Equilibria: Overview01:09

Solubility Equilibria: Overview

When a substance such as sodium chloride is added to water, it dissolves, forming an aqueous solution. The extent of dissolution is called solubility. The process of dissolution can exist in equilibrium, just like other chemical processes. Solubility equilibria are also called precipitation equilibria because the process of solubility can be reversible. The reverse of the solubility process is called precipitation.
Solubility is important in biological and environmental processes. A notable...
Solubility03:00

Solubility

Solution, Solubility, and Solubility Equilibrium
A solution is a homogeneous mixture composed of a solvent, the major component, and a solute, the minor component. The physical state of a solution—solid, liquid, or gas—is typically the same as that of the solvent. Solute concentrations are often described with qualitative terms such as dilute (of relatively low concentration) and concentrated (of relatively high concentration).
In a solution, the solute particles (molecules, atoms, and/or ions)...
Solvating Effects02:12

Solvating Effects

An understanding of the solvating effect helps rationalize the relation between solvation and acidity of the compound. In addition, this also explains the relative stability of conjugate bases for compounds with different pKa values. This lesson details, in-depth, the principle of solvating effects. The strength of an acid and the stability of its corresponding conjugate base are determined using pKa values. This observed relationship is a consequence of solvation, which is the interaction...
Chemical and Solubility Equilibria02:21

Chemical and Solubility Equilibria

The free energy change associated with dissolving a solute in a liter of solvent is called the free energy of a solution, ΔGsolution. The overall ΔGsolution is expressed as the balance of ΔGinteraction against the always-favorable free-energy of mixing, ΔGmixing. Solution formation is favorable if  ΔGsolution is less than zero, whereas it is unfavorable if ΔGsolution is greater than zero. In short, for a solution to form and complete dissolution to take place, the Gibbs energy change must be...

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Microwave-assisted Intramolecular Dehydrogenative Diels-Alder Reactions for the Synthesis of Functionalized Naphthalenes/Solvatochromic Dyes
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Microwave-assisted Intramolecular Dehydrogenative Diels-Alder Reactions for the Synthesis of Functionalized Naphthalenes/Solvatochromic Dyes

Published on: April 1, 2013

What is solvatochromism?

Alberto Marini1, Aurora Muñoz-Losa, Alessandro Biancardi

  • 1Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, 56126 Pisa, Italy.

The Journal of Physical Chemistry. B
|December 7, 2010
PubMed
Summary

Solvatochromism, the study of solvent effects on light absorption and emission, is complex. This research clarifies how solvent interactions, especially hydrogen bonding, influence molecular probes and their photophysical properties.

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Microwave-assisted Intramolecular Dehydrogenative Diels-Alder Reactions for the Synthesis of Functionalized Naphthalenes/Solvatochromic Dyes
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Area of Science:

  • Computational Chemistry
  • Photophysics
  • Chemical Biology

Background:

  • Solvatochromism is crucial for studying polarity, protein conformation, and binding in biological systems.
  • Understanding solvatochromism is challenging due to complex interactions and dynamics.
  • Charge-transfer probes are widely used but their solvent-dependent behavior requires deeper investigation.

Purpose of the Study:

  • To analyze the impact of various solvents on the photophysical properties of charge-transfer probes (4-AP, PRODAN, FR0).
  • To achieve a microscopic understanding of intermolecular effects governing probe behavior in solution.
  • To elucidate the roles of solvent-induced structural changes, polarization, solubility, hydrogen bonding, and aggregation.

Main Methods:

  • Utilized time-dependent density functional theory (TDDFT) for electronic structure calculations.
  • Employed continuum, discrete, and mixed solvation models to simulate solvent environments.
  • Integrated computational methods to analyze specific and nonspecific solute-solvent interactions.

Main Results:

  • Successfully disentangled the interplay between specific and nonspecific solvent interactions.
  • Demonstrated that strong hydrogen bonding significantly influences solvatochromic shifts.
  • Observed that hydrogen bonding can alter the nature of emitting species, reducing quantum yield.

Conclusions:

  • The study provides a microscopic view of solvatochromism in molecular probes.
  • Highlights the critical role of hydrogen bonding in modulating photophysical properties.
  • Offers insights into designing and interpreting experiments involving solvatochromic probes.