MétaCan
Menu
Back to cohort
Record W4388041961 · doi:10.1021/jacs.3c07998

A [CoSiH<sub>2</sub>] Silylene Synthon Provides Modular Access to Homo- and Heterobimetallic [Co═Si═M] (M = Co, Fe) Silicide Complexes

2023· article· en· W4388041961 on OpenAlexfundno aff
Rex C. Handford, T. Don Tilley

Bibliographic record

VenueJournal of the American Chemical Society · 2023
Typearticle
Languageen
FieldChemistry
TopicSynthesis and characterization of novel inorganic/organometallic compounds
Canadian institutionsnot available
FundersDivision of ChemistryNatural Sciences and Engineering Research Council of CanadaU.S. Department of EnergyOffice of ScienceNational Institutes of HealthNational Science Foundation
KeywordsChemistrySynthonSilyleneSilicideModular designCrystallographyStereochemistrySiliconOrganic chemistryOperating system

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Base-stabilized [BP 3 i Pr ](H) 2 CoSiH 2 (DMAP) ( 1, [BP 3 i Pr ] = PhB(CH 2 P i Pr 2 ) 3 –; DMAP = 4-dimethylaminopyridine) is a rare instance of a synthon for the simplest “parent” silylene complex (LM═SiH 2 ). Complex 1 was accessed in high yields via double Si–H bond activation in SiH 4 by [BP 3 i Pr ]Co(DMAP), and in solution, it undergoes rapid exchange between bound and free DMAP by an associative mechanism (as determined by variable-temperature 1 H NMR dynamic studies). The DMAP ligand of 1 is readily displaced by metal-based fragments that bind silicon and cleave the Si–H bonds of the SiH 2 moiety to produce bimetallic [Co═Si═M] (M = Co, Fe) molecular silicides. Thus, treatment of 1 with 0.5 equiv of (LCo I ) 2 (μ-N 2 ) (L = a tripodal ligand) resulted in the spontaneous formation of [BP 3 i Pr ](H) 2 Co═Si═Co(H) 2 L (L = [BP 2 t Bu Pz], PhB(CH 2 P t Bu 2 ) 2 (pyrazolyl) − ( 3 ); Tp″, HB(3,5-diisopropylpyrazolyl) 3 – ( 4 )) with the concomitant release of DMAP. The symmetrical silicide [BP 3 i Pr ](H) 2 Co═Si═Co(H) 2 [BP 3 i Pr ] ( 5 ) was prepared by treatment of a mixture of 1 and [BP 3 i Pr ]Co(DMAP) with 2 equiv of Ph 3 B, which in this case is required to sequester DMAP as the elimination product Ph 3 B-DMAP. A heterobimetallic silicide, [BP 3 i Pr ](H) 2 Co═Si═Fe(H) 2 [SiP 3 i Pr ] ( 7; [SiP 3 i Pr ] = PhSi(CH 2 P i Pr 2 ) 3 ), was obtained via in situ KC 8 reduction of [SiP 3 i Pr ]FeCl and subsequent addition of 1 and Ph 3 B. These transformations involving a metal–SiH 2 derivative demonstrate a fundamentally new type of reactivity for silylene complexes and provide a unique synthetic method for construction of molecular silicide complexes.

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 score0.008

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 head0.021
GPT teacher head0.271
Teacher spread0.250 · 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

Citations2
Published2023
Admission routes1
Has abstractyes

Explore more

Same venueJournal of the American Chemical SocietySame topicSynthesis and characterization of novel inorganic/organometallic compoundsFrench-language works237,207