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Record W4313294619 · doi:10.26434/chemrxiv-2022-qb667

Optimization of the Synthesis of Chloro Dodecachloro Boron Subphthalocyanine.

2022· preprint· en· W4313294619 on OpenAlexafffund
Kacper Wojtkiewicz, Adam R. Tetreault, Timothy P. Bender

Bibliographic record

VenueChemRxiv · 2022
Typepreprint
Languageen
FieldMaterials Science
TopicPorphyrin and Phthalocyanine Chemistry
Canadian institutionsUniversity of Toronto
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsSublimation (psychology)Yield (engineering)HalideBoronChemistryThermal stabilityReaction conditionsInorganic chemistryMaterials scienceOrganic chemistryCatalysisMetallurgy

Abstract

fetched live from OpenAlex

During this study, we analyze different methodologies to synthesize previously reported chloro dodecachloro boron subphthalocyanine (Cl-Cl12BsubPc). As we attempt to replicate the previously reported method, we were unable to successfully achieve the yield and purity that was reported, and this negative outcome was confirmed via running many times. This led us to explore different pathways to produce Cl-Cl12BsubPc, for first example, utilizing AlCl3 in axial halide exchange from Br-Cl12BsubPc to Cl-Cl12BsubPc. However, due to inability to track reaction progression during the reaction and only partial conversion, other pathways were considered. Ultimate conclusion was that we were able to synthesize Cl-Cl12BsubPc using BCl3 in p-xylene, where we achieve an improved yield of 69%, with a purity of 93%. Using TGA, to also note, we postulate a reason for the decreased thermal stability of Cl-Cl12BsubPc during train sublimation, and therefore if sublimation was done at higher temperature it results in lower purification yields.

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)0.001
metaresearch head score (Gemma)0.001
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 score0.007

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.001

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 head0.019
GPT teacher head0.244
Teacher spread0.225 · 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

Citations0
Published2022
Admission routes2
Has abstractyes

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