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Record W7005577927

Reactivity of low-valent iridium thiolate complexes

2015· dissertation· en· W7005577927 on OpenAlexfundno aff

Bibliographic record

VenueeScholarship@McGill (McGill) · 2015
Typedissertation
Languageen
FieldComputer Science
TopicImage Processing and 3D Reconstruction
Canadian institutionsnot available
FundersNatural Sciences and Engineering Research Council of CanadaCanada Research ChairsMcGill University
KeywordsIridiumReactivity (psychology)ThiolNucleophileMetalCrystal structureInfrared spectroscopyOxidative addition
DOInot available

Abstract

fetched live from OpenAlex

A series of six-coordinate iridium thiol complexes, HIr(SR)(X)L2 where R = C6H5, C6H4CH3, or C6H4NO2, X = Cl or I and L = P(C6H5)3 or (C6H5)2PC2H4P(C6H5)2, have been synthesized by oxidative addition of four-coordinate precursors.Another series of metal complexes containing sulfur-rich ligands with the formula, M(SxCC6H4CH3) or M(SxCC6H5) where M = Zn, Ni or Co have been prepared as well.The infrared and nuclear magnetic resonance spectra of these complexes are discussed with regard to possible structures for the isomers these compounds tend to form under varying conditions.Some of these results help to confirm the large trans effect some of these ligands have within their respective complexes and are reconfirmed by the crystal structures obtained in these studies.The alpha effect of lone pair-bearing substituents was also explored with focus on the enhanced nucleophilicity of adjacent thiol groups.The results of these studies are further described in this thesis.RESUMÉ Une série de six-coordonnés composés de thiol iridium, HIr(SR)(X)L2 où R = C6H5, C6H4CH3, ou C6H4NO2, X = Cl ou I, et L = P(C6H5)3 ou (C6H5)2PC2H4P(C6H5)2, a été synthétisée par addition-oxydante, en commençant par les précurseurs de quatre-coordonnés.Une autre série de complexes métalliques contenant des ligands riches en soufre ayant la formule, M(SxCC6H4CH3) ou M(SxCC6H5), où M = Zn, Ni ou Co, a été préparé aussi.Les spectres d'infrarouge (IR) et les spectres de résonance magnétique nucléaire (RMN) ont été analysés pour la détermination des structures des isomères de ces composés qui se sont formé dans des conditions variables.Les résultats obtenus ont permis de confirmer l'effet trans au niveau de certains ligands de ces complexes.Ceci a également été confirmé par l'analyse des structures cristallines obtenus de ces composés.Les résultats de ces études sont décrits en detail dans le présent mémoire.

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 communication0.0010.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

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 head0.019
GPT teacher head0.256
Teacher spread0.237 · 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

Citations0
Published2015
Admission routes1
Has abstractyes

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