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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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Distinguishing Bonds.

Martin Rahm1, Roald Hoffmann1

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Summary
This summary is machine-generated.

This study introduces a new descriptor, Q, to analyze chemical bond types. Q effectively categorizes diverse bonds, from covalent to ionic and dispersion interactions, based on energy partitioning.

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Area of Science:

  • Quantum Chemistry
  • Chemical Bonding Theory
  • Computational Chemistry

Background:

  • Chemical transformations involve energy changes per electron (ΔE/n).
  • This energy change can be partitioned into average electron binding energy (Δχ̅) and changes in nuclear repulsions (ΔVNN) plus multielectron interactions (Δω).
  • Previous work explored consequences of this energy partitioning in chemical bonding.

Purpose of the Study:

  • To extend the analysis of energy partitioning for chemical bonding in various diatomic molecules.
  • To introduce a new descriptor, Q, for classifying different types of chemical bonds.
  • To investigate the relationship between Q and bond energy, and Q and correlation energy.

Main Methods:

  • Energy partitioning of chemical transformations into Δχ̅, ΔVNN, and Δω.
  • Calculation of a new descriptor Q, based on the scaled difference between Δχ̅ and Δ(VNN + ω)/n.
  • Plotting Q versus bond energy to analyze bonding types.

Main Results:

  • The descriptor Q successfully separates and classifies a wide range of bonding types, including covalent, polar, ionic, metallogenic, electrostatic, charge-shift, and dispersion interactions.
  • Q demonstrates a clear correlation with bond energy across these diverse bonding categories.
  • Interesting relationships were observed between Q and the correlation energy of a bond.

Conclusions:

  • The proposed energy partitioning and the descriptor Q offer a robust framework for understanding and classifying chemical bond types.
  • Δχ̅ is associated with covalence, while Δω relates to electron transfer.
  • The descriptor Q provides a valuable tool for analyzing bonding diversity and its correlation with bond energy and electronic correlation.