MétaCan
Menu
← Back to cohort
Record W4409360167 · doi:10.1139/cjc-2024-0273

Synthesis and coordination chemistry of an integrated binucleating ligand based on bidentate NacNac and NCN pincer frameworks

2025· article· en· W4409360167 on OpenAlexafffundvenue
C. Chang, Michael J. Sgro, Warren E. Piers, Wen Zhou

Bibliographic record

VenueCanadian Journal of Chemistry · 2025
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of CanadaCanada Research Chairs
KeywordsChemistryPincer movementDenticityCoordination complexPincer ligandLigand (biochemistry)Medicinal chemistryCombinatorial chemistryComputational chemistryOrganic chemistryCrystal structureCatalysisBiochemistryMetal

Abstract

fetched live from OpenAlex

A new binucleating “Janus” ligand based on the β-diketiminato (“NacNac”) donor combined with an NCN pincer ligand framework has been designed and synthesized. By incorporating pyridyl donors on the imino carbons of the NacNac ligand, two binding sites for metals are introduced. The ligand's binucleating capabilities are demonstrated by ligating BF 2 in the NacNac pocket and NiBr into the NCN pincer bay. The resulting binuclear boron–nickel complexes chemistry was explored by substitution of the bromide ligand on nickel and one fluoride ion on boron with the weakly coordinating triflimide anion [N(SO 2 CF 3 ) 2 ] − (NTf 2 ). The bromide is replaced preferentially with AgNTf 2 and further treatment with Me 3 SiNTf 2 produces a borenium ion by abstracting F − from the BF 2 unit. Semiquantitative assessment of the Lewis acidity at the nickel center using the Gutmann–Beckett method shows a substantial increase in Lewis acidity upon conversion of the BF 2 to the [BF] + borenium moiety.

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)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
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 score0.002
Threshold uncertainty score0.004

Distilled classifier scores by category (both heads)

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 integrity0.0000.000
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 head0.007
GPT teacher head0.223
Teacher spread0.217 · 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 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

Citations1
Published2025
Admission routes3
Has abstractyes

Explore more

Same venueCanadian Journal of Chemistry→Same topicMetal-Organic Frameworks: Synthesis and Applications→French-language works237,207→