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Record W6922230955 · doi:10.1021/la015505x.s001

Aryl Ketone Photochemistry on Monolayer Protected\nClusters:  Study of the Norrish Type II Reaction as a Probe\nof Conformational Mobility and for Selective Surface\nModification

2016· article· en· W6922230955 on OpenAlexaff

Bibliographic record

VenueFigshare · 2016
Typearticle
Languageen
FieldMaterials Science
TopicPhotochromic and Fluorescence Chemistry
Canadian institutionsWestern University
Fundersnot available
KeywordsArylMonolayerKetoneAlkeneExcited stateBenzeneFragmentation (computing)Reactivity (psychology)

Abstract

fetched live from OpenAlex

A series of aryl ketones, namely, 11-mercapto-1-phenyl-undecanone (<b>1</b>), 1-(4-hexyl-phenyl)-11-mercaptoundecanone (<b>2</b>), 1-(4-dodecyl-phenyl)-11-mercaptoundecanone (<b>3</b>), 1-[4-(11-mercaptoundecyl)phenyl]hexanone (<b>4</b>), and 1-[4-(11-mercaptoundecyl)phenyl]undecanone (<b>5</b>), anchored as mixed monolayers with\none of hexanethiolate, dodecanethiolate, and octadecanethiolate on gold nanoclusters (so-called monolayer-protected clusters, MPCs) were prepared and characterized. The Norrish−Yang type II photoreactivity\nof these MPCs was investigated in benzene solution to serve as probes of conformational mobility within\nthe monolayer environment. The aryl ketones react efficiently by a Norrish type II reaction (>75% completion)\nthrough their triplet excited state to yield a 1,4-biradical that fragments to give the corresponding alkene\nand substituted acetophenone-modified MPCs for <b>1</b>−<b>3</b> and <b>4</b> and <b>5</b>, respectively. The extent of reaction\nand the efficiency do not appear to depend on the length of the alkanethiolate coadsorbed onto the MPC\nor on whether the aryl ketone is further embedded into the monolayer. Notably, there was no evidence\nfor the generation of cyclobutanol products that would be generated from cyclization of the 1,4-biradical\nor other competing photochemical reactions. The findings of this investigation suggest that the MPC\nenvironment is quite dynamic; yet, the exclusive fragmentation products indicate that there are some\nfactors affecting the conformational mobility of the triplet biradical. We further suggest that the reactivity\nin MPCs may be greatest at the edge/vertexes with larger constraints on the terraces. Regardless, the\nNorrish type II reactivity yields efficient fragmentation of either acetophenone or alkene moiety, suggesting\nsuch MPCs could find use for the controlled release of substrates in solution.

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 categoriesInsufficient payload (model declined to judge)
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 score0.011
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
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 head0.037
GPT teacher head0.278
Teacher spread0.240 · 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
Published2016
Admission routes1
Has abstractyes

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