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Chemical Bonds02:40

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Atoms participate in a chemical bond formation to acquire a completed valence-shell electron configuration similar to that of the noble gas nearest to it in atomic number. Ionic, covalent, and metallic bonds are some of the important types of chemical bonds. Bond energy and bond length determine the strength of a chemical bond.
Types of Chemical Bonds
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According to valence bond theory, a covalent bond results when: (1) an orbital on one atom overlaps an orbital on a second atom, and (2) the single electrons in each orbital combine to form an electron pair. The strength of a covalent bond depends on the extent of overlap of the orbitals involved. Maximum overlap is possible when the orbitals overlap on a direct line between the two nuclei.
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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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The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...
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New Way for Probing Bond Strength.

Johanna Klein1, Hassan Khartabil1, Jean-Charles Boisson2

  • 1Institut de Chimie Moléculaire de Reims UMR CNRS 7312, Université de Reims Champagne-Ardenne, Moulin de la Housse, 51687 Reims Cedex 02 BP39, France.

The Journal of Physical Chemistry. A
|February 11, 2020
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Researchers developed a new Intrinsic Bond Strength Index (IBSI) to quantify chemical bond strength. This novel index, derived from the independent gradient model (IGM), offers a robust tool for analyzing electron sharing in various chemical bonds.

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Area of Science:

  • Quantum Chemistry
  • Chemical Bonding Theory
  • Computational Chemistry

Background:

  • Covalent chemical bonds involve electron sharing between atoms.
  • The independent gradient model (IGM) and its δg descriptor quantify electron density interpenetration.
  • Existing bond order indices do not fully capture intrinsic bond strength.

Purpose of the Study:

  • To establish a link between the IGM-δg signature and the bond force constant.
  • To introduce a novel index for quantifying intrinsic chemical bond strength.
  • To provide a new tool for analyzing chemical bonds in diverse molecular systems.

Main Methods:

  • Utilizing wavefunction calculations.
  • Applying the independent gradient model (IGM) and its δg descriptor.
  • Analyzing a large dataset of compounds and chemical bonds.

Main Results:

  • A strong correlation was found between the IGM-δg bond signature and the bond force constant.
  • The Intrinsic Bond Strength Index (IBSI) was developed from the IGM formulation.
  • IBSI was shown to be a new index, distinct from conventional bond orders, related to intrinsic bond strength.

Conclusions:

  • The IBSI provides a novel and robust method for ranking two-center chemical bonds by their intrinsic strength.
  • This index is complementary to existing bond order measures.
  • The IBSI is expected to be a valuable tool for chemists across various sub-disciplines.