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Record W4321488762 · doi:10.1021/acs.inorgchem.2c03674

Lanthanide Contraction: What is Normal?

2023· article· en· W4321488762 on OpenAlexaff
R. B. Jordan

Bibliographic record

VenueInorganic Chemistry · 2023
Typearticle
Languageen
FieldMaterials Science
TopicLanthanide and Transition Metal Complexes
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsLanthanide contractionChemistryLanthanideContraction (grammar)Ionic radiusQuadratic equationCoordination numberIonic bondingBond lengthAtom (system on chip)CrystallographyIonCrystal structureMathematicsGeometryOrganic chemistry

Abstract

fetched live from OpenAlex

Renewed interest in lanthanide contraction results from its possible effect on the properties and applications of Ln(III) compounds and the theory related to these issues. To understand this effect, it is important to know what is a normal dependence of the contraction on the number of 4f electrons, n . The normal trend is based on recent values of ionic radii that have a linear dependence on n for coordination numbers (CNs) of 6, 8, and 9. If the normal trend is not followed, then some other interactions in the system are affecting the extent of contraction. However, the suggestion that the variation is curved and fitted by a quadratic function has become popular in recent years. This report examines the Ln(III)-to-ligand atom distances for coordination compounds with CNs of 6–9 and the nitrides and phosphides. Least-squares fits to the linear and quadratic models are applied to all of the bond distances to determine when a quadratic model is justified. The result is that complex systems show a mixture of linear and quadratic dependencies when individual bond distances are considered and that the linear model is most common and representative of the true lanthanide contraction.

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.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.004
metaresearch head score (Gemma)0.016
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.004
Threshold uncertainty score0.022

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0040.016
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0010.001
Science and technology studies0.0010.006
Scholarly communication0.0030.010
Open science0.0020.001
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0010.000

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 head0.016
GPT teacher head0.242
Teacher spread0.226 · 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

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designTheoretical or conceptual
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations42
Published2023
Admission routes1
Has abstractyes

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