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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 OpenAlex
Baptiste Laramée‐Milette, Nelsi Zaccheroni, Francesco Palomba, Garry S. Hanan

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

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 Re I metallacycles. From a k 3 N ‐dicarbonyl precursor, a single discrete [4×1] square assembly was isolated and characterized, whereas a k 2 N ‐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 k 2 N 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 k 3 N ‐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.

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)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Scholarly communication, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow)
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 score0.182
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0040.001
Scholarly communication0.0050.001
Open science0.0020.001
Research integrity0.0000.002
Insufficient payload (model declined to judge)0.0010.000

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