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Record W4394843902 · doi:10.1021/acsomega.4c02076

Mechanochemical Synthesis of Chromium(III) Complexes Containing Bidentate PN and Tridentate P-NH-P and P-NH-P′ Ligands

2024· article· en· W4394843902 on OpenAlexafffund
Tomilola J. Ajayi, Alan J. Lough, Robert H. Morris

Bibliographic record

VenueACS Omega · 2024
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of Toronto
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsDenticityChromiumChemistryMedicinal chemistryStereochemistryCrystallographyCrystal structureOrganic chemistry

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Chromium(III) complexes bearing bidentate {NH 2 (CH 2 ) 2 PPh 2: PN, ( S,S )-[NH 2 (CHPh) 2 PPh 2 ]: P’N} and tridentate [Ph 2 P(CH 2 ) 2 N(H)(CH 2 ) 2 PPh 2: P-NH-P, ( S,S )-( i Pr) 2 PCH 2 CH 2 N(H)CH(Ph)CH(Ph)PPh 2: P-NH-P′] ligands have been synthesized using a mechanochemical approach. The complexes { cis -[Cr(PN)Cl 2 ]Cl ( 1 ), cis -[Cr(P’N)Cl 2 ]Cl ( 2 ), mer -Cr(P-NH-P)Cl 3 ( 3 ), and mer -Cr(P-NH-P′)Cl 3 ( 4 )} were obtained in high yield (95–97%) via the grinding of the respective ligands andthe solid Cr(III) ion precursor [CrCl 3 (THF) 3 ] with the aid of a pestle and mortar, followed by recrystallization in acetonitrile. The isolated complexes are high spin. A single-crystal X-ray diffraction study of 2 revealed a cationic chromium complex with two P’N ligands in a cis configuration with P′ trans to P′ with chloride as the counteranion. The X-ray study of 4 shows a neutral Cr(III) complex with the P-NH-P′ ligand in a mer configuration. The difference in molecular structures and bulkiness of the ligands influence the electronic, magnetic, and electrochemical properties of the complexes as exhibited by the bathochromic shifts in the electronic absorption peaks of the complexes and the relative increase in the magnetic moment of 3 (4.19 μ β ) and 4 (4.15 μ β ) above the spin only value (3.88 μ β ) for a d 3 electronic configuration. Complexes 1 – 4 were found to be inactive in the hydrogenation of an aldimine [( E )-1-(4-fluorophenyl)- N -phenylmethanimine] under a variety of activating conditions. The addition of magnesium and trimethylsilyl chloride in THF did cause hydrogenation at room temperature, but this occurred even in the absence of the chromium complex. The hydrogen in the amine product came from the THF solvent in this novel reaction, as determined by deuterium incorporation into the product when deuterated THF was used.

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 science0.0010.000
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 head0.012
GPT teacher head0.241
Teacher spread0.229 · 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

Citations5
Published2024
Admission routes2
Has abstractyes

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