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Record W3081596769 · doi:10.1039/d0sc03777j

Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes

2020· article· en· W3081596769 on OpenAlexfundno aff
Scott C. Coste, T. Pearson, Alison B. Altman, Ryan A. Klein, Brian A. Finney, Michael Y. Hu, E. Ercan, Bess Vlaisavljevich, Danna E. Freedman

Bibliographic record

VenueChemical Science · 2020
Typearticle
Languageen
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsnot available
FundersArgonne National LaboratoryDivision of Electrical, Communications and Cyber SystemsU.S. Department of EnergyInternational Institute for Nanotechnology, Northwestern UniversityNational Science FoundationAmerican Chemical Society Petroleum Research FundDivision of Materials ResearchOffice of ScienceMaterials Research Science and Engineering Center, Harvard UniversityUniversity of South DakotaAir Force Office of Scientific ResearchNorthwestern UniversityW. M. Keck FoundationBasic Energy SciencesCanadian Light Source
KeywordsBimetallic stripLanthanideSpin (aerodynamics)TinTransition metalNon-bonding orbitalChemistryMetalMolecular orbitalAtomic physicsCondensed matter physicsChemical physicsMaterials sciencePhysicsMoleculeIonCatalysis

Abstract

fetched live from OpenAlex

), featuring unsupported bonding between a transition metal and Sn which represent an unusual high spin electronic structure. Analysis of the frontier orbitals reveal the desired orbital mismatch with Sn 5s/5p primarily interacting with 4s/4p M orbitals yielding localized, non-bonding d orbitals. This approach offers a mechanism to design and control spin states in bimetallic complexes.

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 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 categoriesInsufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.006
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.001
Scholarly communication0.0000.001
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

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 head0.027
GPT teacher head0.256
Teacher spread0.229 · 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 teacher head, not a consensus.

Study designBench or experimental
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

Citations7
Published2020
Admission routes1
Has abstractyes

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