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Record W3201093978 · doi:10.48336/9rnf-fe46

Synthesis of polycyclic aromatic hydrocarbon containing cyclophanes: new and improved methodologies

2022· dissertation· en· W3201093978 on OpenAlexaff
Marc R. Mackinnon

Bibliographic record

VenueMemorial University Research Repository (Memorial University) · 2022
Typedissertation
Languageen
FieldChemistry
TopicSynthesis and Properties of Aromatic Compounds
Canadian institutionsMemorial University of Newfoundland
Fundersnot available
KeywordsCyclophaneChemistryCharacterization (materials science)Polycyclic aromatic hydrocarbonReactivity (psychology)Combinatorial chemistryAromaticityOrganic chemistryNanotechnologyMoleculeMaterials science

Abstract

fetched live from OpenAlex

Cyclophanes are a vast class of compounds that can be defined as any system containing an aromatic system bridged by at least one n-membered bridge (n≥0). This description encompasses a large number of compounds, but relatively few examples in which the aromatic system is more complex than benzene exist. This is largely due to the increase is synthetic difficulty and a lack of universal methodologies. The work described in this thesis includes improvements in the synthesis of pyrenophanes and the introduction of new methodology for cyclophane formation in which the aromatic unit is peropyrene. Chapter 1 serves as an introduction to the concept of non-planarity in aromatic systems and the strategies for incorporating such morphologies into structures. Focus has been placed primarily on cyclophanes containing one aromatic system and one bridge and their advantages in structural modulation. Chapter 2 contains a review of the history of pyrenophanes and strategies towards their preparation. Improvements to the synthesis of the 1,n-dioxa-[n](2,7)pyrenophanes and [n](2,7)pyrenophanes are discussed in detail. Additionally, the reactivity of these systems is briefly discussed. Chapter 3 introduces peropyrene and discusses its properties and limited synthetic accessibility. The synthesis of a series of new cyclophanes is discussed which takes advantage of the dimerization of phenalenlyl radicals generated phenalene. Characterization of resulting [n](2,6)peropyrenophanes is briefly discussed.

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)0.001
metaresearch head score (Gemma)0.002
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 score0.282
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0010.001
Science and technology studies0.0010.000
Scholarly communication0.0000.000
Open science0.0020.001
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 head0.043
GPT teacher head0.280
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 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
Published2022
Admission routes1
Has abstractyes

Explore more

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