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Record W4246263560 · doi:10.1002/ange.202011301

Side‐on Coordination in Isostructural Nitrous Oxide and Carbon Dioxide Complexes of Nickel

2020· article· en· W4246263560 on OpenAlexafffund
Braulio M. Puerta Lombardi, Chris Gendy, Benjamin S. Gelfand, Guy M. Bernard, Roderick E. Wasylishen, Heikki M. Tuononen, Roland Roesler

Bibliographic record

VenueAngewandte Chemie · 2020
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsAlberta Glycomics CentreUniversity of AlbertaUniversity of Calgary
FundersNatural Sciences and Engineering Research Council of CanadaH2020 European Research CouncilCanada Foundation for Innovation
KeywordsIsostructuralNickelChemistryLigand (biochemistry)Transition metalDecompositionCrystallographyNitrous oxideCoordination complexSolid-stateOxidation stateInorganic chemistryCoordination numberPhysical chemistryMetalCrystal structureIonOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract A nickel complex incorporating an N2O ligand with a rare η2‐N,N′‐coordination mode was isolated and characterized by X‐ray crystallography, as well as by IR and solid‐state NMR spectroscopy augmented by 15N‐labeling experiments. The isoelectronic nickel CO2 complex reported for comparison features a very similar solid‐state structure. Computational studies revealed that η2‐N2O binds to nickel slightly stronger than η2‐CO2 in this case, and comparably to or slightly stronger than η2‐CO2 to transition metals in general. Comparable transition‐state energies for the formation of isomeric η2‐N,N′‐ and η2‐N,O‐complexes, and a negligible activation barrier for the decomposition of the latter likely account for the limited stability of the N2O complex.

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 score0.003
Threshold uncertainty score0.007

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 science0.0010.000
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 head0.020
GPT teacher head0.236
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

Citations3
Published2020
Admission routes2
Has abstractyes

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