Linnett is Back: Chemical Bonding through the Lens of Born Maxima

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 wave function (Born maxima) highlights the rigidity of the same-spin electron blocks and validates 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.

Authors

Institutions

Publication Details

Journal
Journal of Chemical Theory and Computation
Published
2025-02-21
DOI
https://doi.org/10.1021/acs.jctc.4c01785
Citations
3
Primary Topic
Organic Chemistry Cycloaddition Reactions
Type
article
Field-Weighted Citation Impact
2.81

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Linnett is Back: Chemical Bonding through the Lens of Born Maxima

Ángel Martín Pendás, Evelio Francisco, María Menéndez-Herrero
3 citations
Journal of Chemical Theory and Computation
Organic Chemistry Cycloaddition Reactions
2.81
article

Linnett is Back: Chemical Bonding through the Lens of Born Maxima

Ángel Martín Pendás, Evelio Francisco, María Menéndez-Herrero
article en
3 citations

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 wave function (Born maxima) highlights the rigidity of the same-spin electron blocks and validates 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.

Journal of Chemical Theory and ComputationVol. 21(5)
Universidad de Oviedo (ES)
Fundación para el Fomento en Asturias de la Investigación Científica Aplicada y la Tecnología, Dirección para el Desarrollo de la Ciencia y el Conocimiento
Zero hunger
Openalex Percentile: Top 12%
Organic Chemistry Cycloaddition Reactions
2.81
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.