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Record W4224979645 · doi:10.1002/chem.202200616

The Effects of Ring Strain on Cyclic Tetraaryl[5]cumulenes

2022· article· en· W4224979645 on OpenAlexafffund
Bozheng Sun, Meagan S. Oakley, Kota Yoshida, Yanwen Yang, Matteo Tommasini, Chiara Zanchi, Andrea Lucotti, Michael J. Ferguson, Frank Hampel, Mariusz Kłobukowski, Rik R. Tykwinski

Bibliographic record

VenueChemistry - A European Journal · 2022
Typearticle
Languageen
FieldChemistry
TopicSynthesis and Properties of Aromatic Compounds
Canadian institutionsUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of CanadaHorizon 2020 Framework ProgrammeDeutsche ForschungsgemeinschaftCanada Foundation for InnovationCompute Canada
KeywordsCumuleneStrain (injury)Ring (chemistry)Ring strainRaman spectroscopyBendingChemistryCrystallographyHOMO/LUMOMaterials scienceStereochemistryComputational chemistryMoleculePhysicsComposite materialOrganic chemistryOptics

Abstract

fetched live from OpenAlex

Abstract Cyclic tetraaryl[5]cumulenes ( 1 a–f ) have been synthesized and studied as a function of increasing ring strain. The magnitude of ring strain is approximated by the extent of bending of the cumulenic core as assessed by a combination of X‐ray crystallographic analysis and DFT calculations. Trends are observed in 13 C NMR, UV‐vis, and Raman spectra associated with ring strain, but the effects are small. In particular, the experimental HOMO‐LUMO gap is not appreciably affected by bending of the [5]cumulene framework from ca. 174° ( λ max =504 nm) in 1 a to ca. 178° ( λ max =494 nm) in 1 f .

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)0.001
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 score0.171
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0010.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
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 head0.011
GPT teacher head0.200
Teacher spread0.189 · 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

Citations3
Published2022
Admission routes2
Has abstractyes

Explore more

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