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Record W1987277248 · doi:10.1002/chem.201002685

Dehydrotropylium–Co<sub>2</sub>(CO)<sub>6</sub> Ion: Generation, Reactivity and Evaluation of Cation Stability

2011· article· en· W1987277248 on OpenAlexafffund
Sheida Amiralaei, James W. Gauld, James R. Green

Bibliographic record

VenueChemistry - A European Journal · 2011
Typearticle
Languageen
FieldChemistry
TopicSynthesis and Properties of Aromatic Compounds
Canadian institutionsUniversity of Windsor
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsNucleophileChemistryReactivity (psychology)IonAromaticityReactive intermediateMedicinal chemistryComputational chemistryInorganic chemistryOrganic chemistryMoleculeCatalysis

Abstract

fetched live from OpenAlex

The dehydrotropylium-Co(2)(CO)(6) ion was generated by the action of HBF(4) or BF(3)⋅OEt(2) on the corresponding cycloheptadienynol complex, which in turn has been prepared in four steps from a known diacetoxycycloheptenyne complex. The reaction of the cycloheptadienynol complex via the dehydrotropylium-Co(2)(CO)(6) ion with several nucleophiles results in substitution reactions with reactive nucleophiles (N>1) under normal conditions, and a radical dimerisation reaction in the presence of less reactive nucleophiles. Competitive reactions of the cycloheptadienynol complex with an acyclic trienynol complex show no preference for generation of the dehydrotropylium-Co(2)(CO)(6) ion over an acyclic cation. DFT studies on the dehydrotropylium-Co(2)(CO)(6) ion, specifically evaluation of its harmonic oscillator model of aromaticity (HOMA) value (+0.95), its homodesmotic-reaction-based stabilisation energy (≈2.8 kcal mol(-1)) and its NICS(1) value (-2.9), taken together with the experimental studies suggest that the dehydrotropylium-Co(2)(CO)(6) ion is weakly aromatic.

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)0.003
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
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 score0.039
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0030.001
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 integrity0.0000.000
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 head0.079
GPT teacher head0.250
Teacher spread0.170 · 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

Citations12
Published2011
Admission routes2
Has abstractyes

Explore more

Same venueChemistry - A European JournalSame topicSynthesis and Properties of Aromatic CompoundsFrench-language works237,207