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Related Concept Videos

Alkyl Halides02:45

Alkyl Halides

Structural Properties
Alkyl halides are halogen-substituted alkanes wherein one or more hydrogen atoms of an alkane is replaced by a halogen atom such as fluorine, chlorine, bromine, or iodine. The carbon atom in an alkyl halide is bonded to the halogen atom, which is sp3-hybridized and exhibits a tetrahedral shape.
Unlike alkyl halides, compounds in which a halogen atom is bonded to an sp2 -hybridized carbon atom of a carbon-carbon double bond (C=C) are called vinyl halides. Whereas aryl...
Halogens03:01

Halogens

Group 17 elements, known as halogens, are nonmetals. At room temperature, fluorine and chlorine are gases, bromine is a liquid, and iodine a solid. Astatine is a highly unstable radioactive element, so currently, most of its properties are unknown due to its short half-life. Tennessine is a synthetic element also predicted to be in this group.
Electrophilic Addition to Alkynes: Halogenation02:38

Electrophilic Addition to Alkynes: Halogenation

Introduction
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.
Hybridization of Atomic Orbitals II03:35

Hybridization of Atomic Orbitals II

sp3d and sp3d 2 Hybridization
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
Mass Spectrometry: Alkyl Halide Fragmentation01:22

Mass Spectrometry: Alkyl Halide Fragmentation

Chlorine isotopes exist as 35Cl and 37Cl in a 3:1 ratio, while bromine isotopes exist as 79Br and 81Br in a 1:1 ratio. The mass spectrum of alkyl halides typically produces two distinct molecular ion peaks, the molecular ion peak, [M], and the molecular ion plus two, [M + 2] peak. The relative heights of these two peaks are proportional to the isotopic abundance ratios of the halide. For example, 2‐chloropropane and 1‐bromopropane display two peaks with relative peak heights in a 3:1 and 1:1...

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Updated: Jun 19, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
06:44

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

Published on: March 24, 2018

Superhalogen properties of CuF(n) clusters.

Q Wang1, Q Sun, P Jena

  • 1Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284-2000, USA.

The Journal of Chemical Physics
|October 2, 2009
PubMed
Summary
This summary is machine-generated.

Copper fluoride clusters (CuFn) exhibit unique stability and electron affinities due to 3d-electron involvement. These findings reveal CuFn as superhalogens with enhanced valence, exceeding typical values.

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Area of Science:

  • Computational Chemistry
  • Materials Science
  • Quantum Chemistry

Background:

  • Density Functional Theory (DFT) is a powerful method for predicting molecular properties.
  • Superhalogens are species with electron affinities exceeding those of alkali halides.
  • Understanding electron affinities and molecular stability is crucial for developing new materials.

Purpose of the Study:

  • To investigate the electronic properties and stability of copper fluoride clusters (CuFn).
  • To explore the role of inner shell 3d-electrons in the bonding of CuFn.
  • To determine if CuFn clusters can be classified as superhalogens.

Main Methods:

  • First-principles calculations using gradient-corrected density functional theory.
  • Analysis of electron affinities and energy gaps (HOMO-LUMO) for neutral and anionic CuFn species.
  • Investigation of the interaction between a central Cu atom and up to six F atoms.

Main Results:

  • Observed increasing electron affinities as F atoms attach to Cu, peaking at 7.2 eV for CuF(5).
  • Identified large HOMO-LUMO energy gaps, indicating significant stability for CuFn clusters.
  • Demonstrated the involvement of Cu's inner 3d-electrons in the observed unusual properties.

Conclusions:

  • CuFn clusters exhibit characteristics of superhalogens.
  • The valence of copper in these clusters can exceed its nominal values.
  • The study highlights the potential of CuFn as stable, high-electron-affinity species.