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Record W4407602403 · doi:10.26434/chemrxiv-2025-ngxc3

Automation Accelerated screening of H-Bond-Rich Iridium Photosensitisers for Hydrogen Generation

2025· preprint· en· W4407602403 on OpenAlexaff
T. Harri Jones, Claire Bradshaw, John W. Ward, Barry A. Blight

Bibliographic record

VenueChemRxiv · 2025
Typepreprint
Languageen
FieldMaterials Science
TopicNuclear Materials and Properties
Canadian institutionsUniversity of New Brunswick
Fundersnot available
KeywordsIridiumChemistryHydrogen bondAutomationNanotechnologyChemical engineeringMaterials scienceEngineeringOrganic chemistryCatalysisMoleculeMechanical engineering

Abstract

fetched live from OpenAlex

In the pursuit of a stable hydrogen evolution photosensitiser, we demonstrate the incorporation of a series of our H-bond rich guanidine-styled iridium (III) complexes into a catalytic system. Using automation accelerated catalysis screening techniques we optimised our system quickly and effectively to observe how these strongly H-bonding complexes may perform. Proven to be photo-electronically suitable, and with effective electron transfer abilities evidenced by Stern-Volmer mechanistic studies, the complexes showed modest levels of H2 evolution in comparison to previously investigated photosensitisers with general formula [Ir(C^N)2(N^N)].

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 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 score0.013
Threshold uncertainty score0.962

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)0.0000.000

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 head0.069
GPT teacher head0.283
Teacher spread0.214 · 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.

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
Published2025
Admission routes1
Has abstractyes

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