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Record W2593615968 · doi:10.1002/chem.201700077

Visible and Near‐IR Emissions from <i>k</i><sup>2</sup><i>N</i>‐ and <i>k</i><sup>3</sup><i>N</i>‐Terpyridine Rhenium(I) Assemblies Obtained by an [<i>n</i>×1] Head‐to‐Tail Bonding Strategy

2017· article· en· W2593615968 on OpenAlexafffund
Baptiste Laramée‐Milette, Nelsi Zaccheroni, Francesco Palomba, Garry S. Hanan

Bibliographic record

VenueChemistry - A European Journal · 2017
Typearticle
Languageen
FieldChemistry
TopicSupramolecular Chemistry and Complexes
Canadian institutionsBombardier (Canada)Université de Montréal
FundersU.S. Bureau of Land ManagementUniversité de MontréalCompute Canada
KeywordsRheniumDensity functional theoryCrystallographyElectrochemistryDiffractionSquare (algebra)ChemistrySquare pyramidal molecular geometryX-ray crystallographySolid-stateMaterials scienceCrystal structurePhysicsPhysical chemistryComputational chemistryInorganic chemistryQuantum mechanics

Abstract

fetched live from OpenAlex

Abstract An [n×1] head‐to‐tail bonding strategy has been used for the synthesis of ReI metallacycles. From a k3N‐dicarbonyl precursor, a single discrete [4×1] square assembly was isolated and characterized, whereas a k2N‐tricarbonyl precursor led to two major species, a square and a [3×1] triangular assembly. Solid‐state X‐ray diffraction study has confirmed the high angular distortion (71° to 96°) of the k2N precursors. The electrochemical reversibility of the triangular (5) and square (6, 7) assemblies is increased with respect to that of their precursors. Photophysical investigation has confirmed pronounced red‐shifts in the emissions of the k3N‐dicarbonyl species 4 (935 nm) and 7 (980 nm), as confirmed by density functional theory (DFT) and time‐dependent DFT (TD‐DFT) calculations.

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 score0.005

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 communication0.0000.000
Open science0.0000.000
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 head0.023
GPT teacher head0.262
Teacher spread0.238 · 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

Citations28
Published2017
Admission routes2
Has abstractyes

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Same venueChemistry - A European JournalSame topicSupramolecular Chemistry and ComplexesFrench-language works237,207