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Record W2141913043 · doi:10.1002/chem.201301881

Non‐Innocent Ligand Effects on Low‐Oxidation‐State Indium Complexes

2013· article· en· W2141913043 on OpenAlexaff
C.J. Allan, B.F.T. Cooper, Hugh J. Cowley, Jeremy M. Rawson, Charles L. B. Macdonald

Bibliographic record

VenueChemistry - A European Journal · 2013
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsUniversity of Windsor
Fundersnot available
KeywordsChemistryReactivity (psychology)Ligand (biochemistry)Oxidation stateElectron paramagnetic resonanceDisproportionationPhotochemistryRadicalIndiumLone pairTrifluoromethanesulfonateDiimineMedicinal chemistryCrystallographyMetalMoleculeOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

Attempts to coordinate neutral ligands to low oxidation state indium centers are often hindered by disproportionation pathways that produce elemental indium and higher oxidation state species. In contrast, we find that reactions of the salt, InOTf (OTf=trifluoromethanesulfonate), with α-diimine ligands yielded intensely colored compounds with no evidence of decomposition. X-ray structural analysis of InOTf⋅(Mes) DAB(Me) ((Mes) DAB(Me) =N,N-dimesityl-2,3-dimethyl-diazabutadiene; 1) reveals a discrete molecular compound with a pyramidal coordination environment at the indium center, consistent with the presence of a stereochemically active lone pair of electrons on indium and a neutral diazabutadiene chelate ligand. The use of the less-electron-rich (Mes) DAB(H) ligand ((Mes) DAB(H) =N,N-dimesityl-diazabutadiene) engenders dramatically different reactivity and produces a metallopolymer (InOTf⋅(Mes) DAB(H) )∞ (2) linked via CC and InIn bonds. The difference in reactivity is rationalized by cyclic voltammetry and DFT studies that suggest more facile electron transfer from In(I) to the (Mes) DAB(H) and bis(aryl)acenaphthenequinonediimine (BIAN) ligands. Solution EPR spectroscopy indicates the presence of non-interacting ligand-based radicals in solution, whereas solid-state EPR studies reflect the presence of a thermally accessible spin triplet consistent with reversible CC bond cleavage.

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 categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
Consensus categoriesInsufficient payload (model declined to judge)
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 score0.042
Threshold uncertainty score1.000

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 science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0260.002

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 head0.007
GPT teacher head0.191
Teacher spread0.184 · 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; both teacher heads agree on what is shown here.

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

Citations25
Published2013
Admission routes1
Has abstractyes

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