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Related Concept Videos

Introduction to Chemical Bonds01:01

Introduction to Chemical Bonds

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Chemical Bonds
The electrons of the outermost energy level determine the energetic stability of the atom and its tendency to form chemical bonds with other atoms. The innermost electron shell has a maximum capacity of two electrons, but the next two electron shells can each have a maximum of eight electrons. This is known as the octet rule, which states that, with the exception of the innermost shell, atoms are most stable energetically when they have eight electrons in their valence shell, the...
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Exceptions to the Octet Rule02:55

Exceptions to the Octet Rule

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Many covalent molecules have central atoms that do not have eight electrons in their Lewis structures. These molecules fall into three categories:
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Chemical Bonds02:40

Chemical Bonds

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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
An ionic bond is formed due to electrostatic attraction between cations and anions. Often, the ions are formed by the transfer of electrons...
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Types of Chemical Bonds02:37

Types of Chemical Bonds

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Chemical bonding theories were pioneered by American chemist Gilbert N. Lewis. He developed a model called the Lewis model to explain the type and formation of different bonds. Chemical bonding is central to chemistry; it explains how atoms or ions bond together to form molecules. It explains why some bonds are strong and others are weak, or why one carbon bonds with two oxygens and not three; why water is H2O and not H4O. 
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Lewis Symbols and the Octet Rule02:36

Lewis Symbols and the Octet Rule

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Chemical bonds are complex interactions between two or more atoms or ions, which reduce the potential energy of the molecule. Gilbert N. Lewis developed a model called the Lewis model that simplified the depiction of chemical bond formation and provided straightforward explanations for the chemical bonds seen in most common compounds.
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Resonance02:52

Resonance

54.7K
The Lewis structure of a nitrite anion (NO2−) may actually be drawn in two different ways, distinguished by the locations of the N-O and N=O bonds. 
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Unicorns, Rhinoceroses and Chemical Bonds.

Jordan Gribben1, Timothy R Wilson2, Mark E Eberhart2

  • 1Chemistry Department, Loras College, 1450 Alta Vista Street, Dubuque, IA 52001, USA.

Molecules (Basel, Switzerland)
|February 25, 2023
PubMed
Summary

This study introduces "bond bundles" as a quantifiable, real-space analogue of chemical bonds, validating chemical intuition in computational molecular design. These bond bundles offer new insights into molecular and material properties.

Keywords:
FCCJahn–TellerQTAIMbond analysisbond bundlebond energyelectron density

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Area of Science:

  • Quantum chemistry
  • Computational molecular design
  • Materials science

Background:

  • Chemical intuition, crucial for synthesizing novel molecules, relies on the concept of chemical bonds.
  • Traditional computational chemistry often views chemical bonds as non-existent or mythical, posing a challenge for computation-aided molecular design.
  • Existing methods struggle to quantify bond properties, hindering the integration of chemical intuition into computational approaches.

Purpose of the Study:

  • To demonstrate that chemical bonds, often considered mythical in computational chemistry, can be rigorously defined and quantified.
  • To introduce the concept of
  • bond bundles
  • as the real-space manifestation of chemical bonds within the Quantum Theory of Atoms in Molecules (QTAIM).
  • To show that bond bundles possess properties analogous to traditional chemical bonds and offer new insights for molecular design.

Main Methods:

  • Application of the Quantum Theory of Atoms in Molecules (QTAIM) formalism.
  • Analysis of electron density and real-space properties to define and characterize bond bundles.
  • Examination of examples from solid-state and molecular chemistry to validate the findings.

Main Results:

  • Bond bundles are identified as the real-space equivalent of chemical bonds.
  • Bond bundles exhibit quantifiable properties such as energy and electron count, consistent with chemical intuition.
  • Bond bundles possess unique attributes, including a defined boundary, offering novel perspectives on molecular structure.
  • Calculated bond bundle properties align with empirical observations in both molecular and solid-state systems.

Conclusions:

  • The concept of bond bundles provides a robust, quantifiable foundation for chemical bonds within computational chemistry.
  • This approach bridges the gap between theoretical calculations and the empirically based chemical intuition of synthetic chemists.
  • Bond bundles offer new avenues for understanding molecular and material properties, advancing computationally aided molecular design.