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Record W2116567137 · doi:10.1039/c5dt02104a

Electronic structures of cyclometalated palladium complexes in the higher oxidation states

2015· article· en· W2116567137 on OpenAlexaff
Bao N. Nguyen, Luis A. Adrio, Tim Albrecht, Andrew J. P. White, Mark A. Newton, Maarten Nachtegaal, Santiago J. A. Figueroa, King Kuok Hii

Bibliographic record

VenueDalton Transactions · 2015
Typearticle
Languageen
FieldChemistry
TopicOrganometallic Complex Synthesis and Catalysis
Canadian institutionsKensington Health
FundersEuropean Research CouncilEngineering and Physical Sciences Research CouncilPfizerEuropean CommissionGlaxoSmithKlineAstraZenecaEuropean Synchrotron Radiation Facility
KeywordsDimerChemistryMetalXANESPalladiumX-ray absorption spectroscopyRedoxOxidation stateElectronic structureElectrochemistryLigand (biochemistry)Atomic orbitalAbsorption spectroscopyCrystallographyBond lengthPhotochemistryMolecular orbitalInorganic chemistrySpectroscopyComputational chemistryPhysical chemistryMoleculeElectronCrystal structureOrganic chemistry

Abstract

fetched live from OpenAlex

The electronic and redox properties of a series of cyclometalated Pd complexes with oxidation states of +2, +3 and +4 were examined using a range of currently available spectroscopic and electrochemical techniques. Changes in metal-ligand bond lengths were established by X-ray crystallography and correctly predicted by DFT calculations, from which the frontier orbitals and partial atomic charges can be obtained. X-ray absorption spectroscopy (XAS) revealed interesting XANES features that suggest a synergistic relationship between metal-ligand interactions. The electrochemical study of the Pd(ii) dimer was found to contain two sequential oxidative potentials indicative of a weak metal-metal interaction.

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 categoriesInsufficient payload (model declined to judge)
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 score0.346
Threshold uncertainty score0.989

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 science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0120.000

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 head0.021
GPT teacher head0.244
Teacher spread0.223 · 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 teacher head, not a consensus.

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

Citations19
Published2015
Admission routes1
Has abstractyes

Explore more

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