Linnett is back: understanding chemical bonds through the lens of Born maxima

09 December 2024, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

The classical Lewis-Langmuir electron pair model remains central to chemical bonding theories, despite its inherent contradictions with quantum mechanical principles such as antisymmetry. This paper revisits the long-forgotten Linnett’s Double Quartet (LDQ) model, which integrates spin considerations into chemical bonding. We demonstrate that the distribution of electrons at the maxima of the square of the wavefunction (Born maxima) highlight the rigidity of same-spin electron blocks and validate the LDQ framework in atoms and molecules. A generalized LDQ model accounts for all bond types --- including covalent, polar-covalent, ionic, dative, and electron-deficient --- and directly incorporates electron correlation effects, providing a rigorous yet intuitive approach to bonding. This perspective also reveals fundamental flaws in conventional mean-field descriptions that ignore the correlated motion of electrons. By bridging traditional and quantum paradigms, the generalized LDQ model offers a robust tool for understanding chemical bonding, with implications for education, experimental design, and theoretical advancements.

Keywords

Chemical Bonding
Computational Chemistry
Atoms in Molecules
Real Space methodologies

Supplementary materials

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Description
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Supporting information
Description
Metdological details, Analytical derivatives of the square of the wavefunction, Born maxima of selected atoms in their ground and low-lying states and in the molecules examined, coordinates of the electrons at the Born maxima.
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