Related Experiment Video
Updated: Dec 25, 2025
From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Ion Pair Structures and Hydrogen Bonding in RNH4- Alkylammonium Ionic Liquids with Hydrogen Sulfate and Mesylate
Irina V Fedorova1, Lyubov P Safonova1
1G. A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, 1 Akademicheskaya Street, Ivanovo 153045, Russia.
Abstract:
Density function theory calculations are employed to study the interaction of amines bearing different numbers of alkyl substituents of different sizes on the nitrogen atom with sulfuric and methanesulfonic acids. The proton affinities of the studied amines are calculated, and it is shown that the higher the value is, the more probable is its protonation. The most stable structures of the ion pairs resulting from the acid-base interaction are obtained and characterized. The geometric parameters of the ion pairs and the characteristics derived from the NBO and QTAIM analysis show that there are hydrogen bonding interactions between the cation and the anion. The hydrogen bonding character of the ion pairs and the strength of the interaction between the ions strongly depend on the nature of the cation itself. The interaction between the ions in the ion pairs weakens with the increase in the cation size. The trend of change in the structural parameters of the H-bonds and energetic characteristics in the cation series for the studied ion pairs is not dependent on the nature of the anion.
More Related Videos
06:35Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
08:54Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on: January 25, 2020
Related Concept Videos
02:54Lewis Structures of Molecular Compounds and Polyatomic Ions
02:38Electrophilic Addition to Alkynes: Halogenation
Halogenation is another class of electrophilic addition reactions where a halogen molecule gets added across a π bond. In alkynes, the presence of two π bonds allows for the addition of two equivalents of halogens (bromine or chlorine). The addition of the first halogen molecule forms a trans-dihaloalkene as the major product and the cis isomer as the minor product. Subsequent addition of the second equivalent yields the tetrahalide.
01:04Hydrogen Bonds
00:26Hydrogen Bonds
Hydrogen Bonds Control the World!
Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are unequally shared....
01:19Structure of Amines
01:21Basicity of Aliphatic Amines
To measure the basicity of amines, two conventions are generally used. The first defines Kb as the basicity constant for the deprotonation reaction of water by the amine, as presented in Figure 1. Conventionally, lower Kb indicates higher...