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Record W3046215792 · doi:10.48336/8zx2-4h07

Polyarene-based π-conjugated systems: synthesis, characterization, and mechanistic studies

2020· dissertation· en· W3046215792 on OpenAlexaff
Cheng Wang

Bibliographic record

VenueMemorial University Research Repository (Memorial University) · 2020
Typedissertation
Languageen
FieldChemistry
TopicChemical Synthesis and Reactions
Canadian institutionsMemorial University of Newfoundland
Fundersnot available
KeywordsDelocalized electronReactivity (psychology)Intramolecular forceDensity functional theoryChemistryMicroporous materialCycloadditionConjugated systemCrystallinityAlkynePhotochemistryCoupling reactionComputational chemistryPolymer chemistryPolymerOrganic chemistryCrystallographyCatalysis

Abstract

fetched live from OpenAlex

This thesis mainly deals with the synthesis and characterization of arenebased π-conjugated systems. The content can be divided into three major parts. In the first section, a series of tetraaryl-anthraquinodimethane derivatives (Ar₄-AQs) was synthesized via Suzuki coupling reactions, and these compounds were subjected to intramolecular cyclization reactions under chemical and photochemical conditions with the aim of making highly π-delocalized polycyclic aromatic hydrocarbons (PAHs). The Ar₄-AQs and their cyclized products were investigated by various spectroscopic analyses, including NMR, UV-Vis absorption spectroscopy, and X-ray crystallography to understand their structural, electronic, and photochemical properties. In the second part, microporous organic cross-linked polymer networks were successfully prepared from Schiff base condensation of a tetrabis(carboxaldehyde)-substituted Ar₄-AQ and para-phenylenediamine. Under optimized conditions, the resulting microporous organic materials showed good microporosity and crystallinity. In the third section, the detailed reaction mechanisms of intramolecular alkyne-dithiolium [3+2] cycloaddition reactions were investigated by a joint experimental and theoretical approach. A number of alkynyl-subsituted phenyldithiafulvenes was prepared as model compounds. Density functional theory (DFT) calculations were performed to reveal the effects of pH and degree of π- conjugation on reactivity.

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)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies
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 score0.448
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0010.001
Science and technology studies0.0020.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0010.001
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 head0.032
GPT teacher head0.260
Teacher spread0.228 · 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.

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
Published2020
Admission routes1
Has abstractyes

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