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Record W3172316582 · doi:10.1002/ejic.202100092

Electrochemical and Photophysical Study of Homoleptic and Heteroleptic Methylated Ru(II) Bis‐terpyridine Complexes

2021· article· en· W3172316582 on OpenAlexafffund
Mira T. Rupp, Thomas Auvray, Garry S. Hanan, Dirk G. Kurth

Bibliographic record

VenueEuropean Journal of Inorganic Chemistry · 2021
Typearticle
Languageen
FieldMedicine
TopicMetal complexes synthesis and properties
Canadian institutionsUniversité de Montréal
FundersNatural Sciences and Engineering Research Council of CanadaBayerische ForschungsallianzDeutscher Akademischer AustauschdienstCompute Canada
KeywordsHomolepticTerpyridineChemistryPyridiniumPhotochemistryPyridineExcited stateLigand (biochemistry)ChromophoreMedicinal chemistryOrganic chemistryMetal

Abstract

fetched live from OpenAlex

Abstract In this study, we investigate the impact of N ‐methylation on the electronic and photophysical properties of both homoleptic and heteroleptic Ru(II) bis‐terpyridine complexes based on the recently reported ligand 4’‐(4‐bromophenyl)‐4,4’’’ : 4’’,4’’’’‐dipyridinyl‐2,2’ : 6’,2’’‐terpyridine (Bipytpy), with pyridine substituents in the 4‐ and 4’’‐position. The first reduction of the methylated complexes takes place at the pyridinium site and is observed as multi‐electron process. Following N ‐methylation, the complexes exhibit higher luminescence quantum yields and longer excited‐state lifetimes. Interestingly, the photophysical properties of the heteroleptic and homoleptic complexes are rather similar. TD‐DFT calculations support the experimental results. Furthermore, the complexes are tested as photosensitizers for photocatalytic hydrogen production, as the parent complex 1 [Ru(Bipytpy)(Tolyltpy)](PF 6 ) 2 (Tolyltpy: 4′‐tolyl‐2,2′ : 6′,2′’‐terpyridine) was recently shown to be active and highly stable under photocatalytic conditions. However, the methylated complexes reported herein are inactive as photosensitizers under the chosen conditions, presumably due to loss of the methyl groups, converting them to the non‐methylated parent complexes.

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 score0.010
Threshold uncertainty score0.582

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
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 head0.017
GPT teacher head0.232
Teacher spread0.215 · 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

Citations7
Published2021
Admission routes2
Has abstractyes

Explore more

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