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Record W2108024369 · doi:10.1002/jcc.20545

Gilbert N. Lewis and the chemical bond: The electron pair and the octet rule from 1916 to the present day

2006· article· en· W2108024369 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueJournal of Computational Chemistry · 2006
Typearticle
Languageen
FieldChemistry
TopicCrystallography and molecular interactions
Canadian institutionsMcMaster University
Fundersnot available
KeywordsOctetElectron pairHypervalent moleculeChemistryMoleculeLewis acids and basesPauli exclusion principleChemical bondElectronCovalent bondAtoms in moleculesElectron densityDensity functional theoryComputational chemistryQuantum mechanicsPhysicsPhysical chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

We describe the development of Lewis's ideas concerning the chemical bond and in particular the concept of the electron pair bond and the octet rule. We show that the concept of the electron pair bond has endured to the present day and is now understood to be a consequence of the Pauli principle. In contrast the octet rule is now regarded as much less important than was originally generally believed, although Lewis himself knew several exceptions and regarded it as less important than what he called the rule of two (the electron pair). The octet rule was more strongly promoted by Langmuir who is also responsible for the term covalent bond. However, many more exceptions to the octet rules than were known to Lewis are now known and the terms hypervalent and hypovalent used to describe such molecules are no longer particularly useful. Today it is realized that bonding electron pairs in many molecules are not as well localized as Lewis believed, nevertheless resonance structures, i.e., plausible alternative Lewis structures, are still often used to describe such molecules. Moreover electrons are not always found in pairs, as for example in linear molecules, which can, however, be satisfactorily described by Linnett's double quartet theory. The electron density distribution in a molecule can now be analyzed using the ELF and other functions of the electron density to show where electron pairs are most probably to be found in a molecule.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.320
Threshold uncertainty score0.252

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.003
GPT teacher head0.210
Teacher spread0.207 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it