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Hydrogen Bonds

Hydrogen Bonds

A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...

Hydrogen Bonds

Hydrogen Bonds

Hydrogen BondsHydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.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...

Bond Polarity, Dipole Moment, and Percent Ionic Character

Bond Polarity, Dipole Moment, and Percent Ionic Character

Covalent Bonding and Lewis Structures

Covalent Bonding and Lewis Structures

Compared to ionic bonds, which results from the transfer of electrons between metallic and nonmetallic atoms, covalent bonds result from the mutual attraction of atoms for a “shared” pair of electrons.

Valence Bond Theory

Valence Bond Theory

Overview of Valence Bond Theory

Valence Bond Theory

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...

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Updated: Jun 18, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

Published on: March 24, 2018

Halogen bonding: a study based on the electronic charge density.

Nancy J Martinez Amezaga¹, Silvana C Pamies, Nélida M Peruchena

¹Laboratorio de Quimica Teorica y Experimental-QuiTEx, Departamento de Quimica, Facultad Regional Resistencia, Universidad Tecnologica Nacional, French 414 (3500) Resistencia (Chaco), Argentina.

The Journal of Physical Chemistry. A

|November 19, 2009

Summary

This study uses computational chemistry to explore noncovalent interactions in halogen and hydrogen bonds. It reveals how electron density explains halogen bonding, showing stabilization of halogen atoms.

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Published on: September 30, 2014

Area of Science:

Computational Chemistry
Quantum Chemistry
Chemical Physics

Background:

Noncovalent interactions are crucial in chemistry and biology.
Understanding halogen bonds requires detailed analysis of electron distribution.

Purpose of the Study:

Investigate noncovalent interactions in Lewis acid-base complexes.
Characterize halogen bonds using electron density topological analysis.
Explain the role of electronegative atoms in halogen bonding.

Main Methods:

Density Functional Theory (DFT) for electronic structure calculations.
Atoms in Molecules (AIM) theory for topological analysis of electron density.
Ab initio wave function generation at B3LYP/6-311++G(d,p) level.

Main Results:

Established a correlation between electron density at critical points and interaction energy.
Observed charge density concentration and depletion in interaction zones.
Found that halogen atoms gain electron population, leading to energetic stabilization.

Conclusions:

Electron charge density analysis effectively explains halogen bonding.
Halogen atoms acting as bridges are energetically stabilized by electron gain.
The study provides insights into the nature of halogen and hydrogen bonds.