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Record W3095073979 · doi:10.1002/anie.202011301

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

2020· article· en· W3095073979 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 International Edition · 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 InnovationGovernment of AlbertaUniversity of Calgary
KeywordsIsostructuralNickelChemistryLigand (biochemistry)Transition metalDecompositionNitrous oxideCoordination complexCrystallographyOxidation stateSolid-stateCarbon dioxideInorganic chemistryMetalPhysical chemistryCrystal structureOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract A nickel complex incorporating an N 2 O ligand with a rare η 2 ‐ N , N ′‐coordination mode was isolated and characterized by X‐ray crystallography, as well as by IR and solid‐state NMR spectroscopy augmented by 15 N‐labeling experiments. The isoelectronic nickel CO 2 complex reported for comparison features a very similar solid‐state structure. Computational studies revealed that η 2 ‐N 2 O binds to nickel slightly stronger than η 2 ‐CO 2 in this case, and comparably to or slightly stronger than η 2 ‐CO 2 to transition metals in general. Comparable transition‐state energies for the formation of isomeric η 2 ‐ N , N ′‐ and η 2 ‐ N , O ‐complexes, and a negligible activation barrier for the decomposition of the latter likely account for the limited stability of the N 2 O 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 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 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 score0.011
Threshold uncertainty score0.587

Codex and Gemma teacher scores by category

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

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 head0.017
GPT teacher head0.245
Teacher spread0.228 · 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.

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

Citations31
Published2020
Admission routes2
Has abstractyes

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