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Salts are ionic compounds composed of cations and anions, either of which may be capable of undergoing an acid or base ionization reaction with water. Aqueous salt solutions, therefore, may be acidic, basic, or neutral, depending on the relative acid-base strengths of the salt’s constituent ions. For example, dissolving the ammonium chloride in water results in its dissociation, as described by the equation:
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This lesson defines the leveling effect in acidic and basic solutions and its role in aqueous and non-aqueous solutions. It is essential to understand the competing nature of various species in a chemical system.
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Most acid-base titrations are performed in an aqueous medium. In aqueous titrations, water competes with weaker acids or bases for proton donation or acceptance, leading to ambiguous endpoints in the titration curve. Water also affects the partial ionization of weak acids or bases. For example, water accepts a proton from acetic acid to form hydronium and acetate ions. The hydronium ion formed is a stronger acid than acetic acid, and the acetate ion is a stronger base than water. As a result,...
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The acidic strength of hydrocarbons follows the order: Alkynes > Alkenes > Alkanes. The strength of an acid is commonly expressed in units of pKa — the lower the pKa, the stronger the acid. Among the hydrocarbons, terminal alkynes have lower pKa values and are, therefore, more acidic. For example, the pKa values for ethane, ethene, and acetylene are 51, 44, and 25, respectively, as shown here.
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Structure of Carboxylic Acid Derivatives
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In acid-base chemistry, the leveling effect refers to the limitation imposed by the solvent on the strength of acids and bases in solution. When a base stronger than the solvent's conjugate base is used, it deprotonates the solvent until the base is entirely consumed, making it ineffective against weaker acids. Conversely, an acid stronger than the solvent's conjugate acid protonates the solvent until the acid is depleted, rendering it ineffective against weaker bases. Essentially, the...
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Orientational Jumps in (Acetamide + Electrolyte) Deep Eutectics: Anion Dependence.

Suman Das1, Ranjit Biswas1, Biswaroop Mukherjee1

  • 1Chemical, Biological and Macromolecular Sciences and ‡Thematic Unit for Excellence - Computational Materials Science, S. N. Bose National Centre for Basic Sciences , Block-JD, Sector-III, Salt Lake, Kolkata 700098, India.

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Anion identity significantly influences acetamide molecule orientation jumps in ionic deep eutectics. Simulations reveal distinct jump behaviors and energy barriers dependent on bromide, nitrate, or perchlorate anions.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Computational Chemistry

Background:

  • Ionic deep eutectics (IDEs) are novel solvent systems with unique properties.
  • Understanding molecular dynamics, particularly orientation jumps, is crucial for IDE applications.
  • Acetamide-based IDEs offer tunable properties based on the lithium salt anion.

Purpose of the Study:

  • To investigate the orientation jumps of acetamide molecules in three different lithium salt-based IDEs.
  • To analyze the influence of different anions (bromide, nitrate, perchlorate) on acetamide reorientation dynamics.
  • To elucidate the relationship between anion identity, jump characteristics, and system dynamics.

Main Methods:

  • All-atom molecular dynamics simulations were employed.
  • Simulations focused on acetamide-acetamide and acetamide-ion interactions.
  • Analysis included jump angle distributions, energy barriers, and time-dependent jump behavior.

Main Results:

  • Acetamide orientation jump characteristics are highly dependent on the anion identity.
  • Large angle jumps are less frequent with nitrate compared to bromide or perchlorate.
  • Energy barriers for anion-bound acetamide reorientation vary significantly, with perchlorate showing the lowest barrier (~0.5 kBT).

Conclusions:

  • The anion identity dictates the dynamics of acetamide reorientation in IDEs.
  • Observed anion-dependent dynamics suggest the presence of dynamic heterogeneity.
  • Simulation results align with previous experimental findings from time-resolved fluorescence measurements.