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Record W4317951868 · doi:10.1021/jacs.2c11569

Direct Transformation of SiH<sub>4</sub> to a Molecular L(H)<sub>2</sub>Co═Si═Co(H)<sub>2</sub>L Silicide Complex

2023· article· en· W4317951868 on OpenAlexfundno aff
Rex C. Handford, Trisha T. Nguyen, Simon J. Teat, R. David Britt, T. Don Tilley

Bibliographic record

VenueJournal of the American Chemical Society · 2023
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsnot available
FundersDivision of ChemistryNatural Sciences and Engineering Research Council of CanadaU.S. Department of EnergyOffice of ScienceNational Institutes of HealthNational Science Foundation
KeywordsBimetallic stripChemistrySilicideSilyleneDensity functional theoryLigand (biochemistry)CrystallographyAdductMetalSiliconComputational chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

The synthesis of bimetallic molecular silicide complexes is reported, based on the use of multiple Si–H bond activations in SiH 4 at the metal centers of 14-electron LCo I fragments (L = Tp″, HB(3,5-diisopropylpyrazolyl) 3 –; [BP 2 t Bu Pz], PhB(CH 2 P t Bu 2 ) 2 (pyrazolyl)). Upon exposure of (Tp″Co) 2 (μ-N 2 ) ( 1 ) to SiH 4, a mixture of (Tp″Co) 2 (μ-H) ( 2 ) and (Tp″Co) 2 (μ-H) 2 ( 3 ) was formed and no evidence for Si–H oxidative addition products was observed. In contrast, [BP 2 t Bu Pz]-supported Co complexes led to Si–H oxidative additions with the generation of silylene and silicide complexes as products. Notably, the reaction of ([BP 2 t Bu Pz]Co) 2 (μ-N 2 ) ( 5 ) with SiH 4 gave the dicobalt silicide complex [BP 2 t Bu Pz](H) 2 Co═Si═Co(H) 2 [BP 2 t Bu Pz] ( 8 ) in high yield, representing the first direct route to a symmetrical bimetallic silicide. The effect of the [BP 2 t Bu Pz] ligand on Co–Si bonding in 7 and 8 was explored by analysis of solid-state molecular structures and density functional theory (DFT) investigations. Upon exposure to CO or DMAP (DMAP = 4-dimethylaminopyridine), 8 converted to the corresponding [BP 2 t Bu Pz]Co(L) x adducts (L = CO, x = 2; L = DMAP, x = 1) with concomitant loss of SiH 4, despite the lack of significant Si–H interactions in the starting complex. On heating to 60 °C, 8 underwent reaction with MeCl to produce small quantities of Me x SiH 4– x ( x = 1–3), demonstrating functionalization of the μ-silicon atom in a molecular silicide to form organosilanes.

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 score0.006

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)0.0020.001

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 head0.013
GPT teacher head0.247
Teacher spread0.234 · 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

Citations10
Published2023
Admission routes1
Has abstractyes

Explore more

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