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Record W2169425168 · doi:10.1039/c2cp43098c

Sodium-doping as a reference to study the influence of intracluster chemistry on the fragmentation of weakly-bound clusters upon vacuum ultraviolet photoionization

2012· article· en· W2169425168 on OpenAlexafffund
Jessica Litman, Bruce L. Yoder, Bernhard Schläppi, Ruth Signorell

Bibliographic record

VenuePhysical Chemistry Chemical Physics · 2012
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsUniversity of British Columbia
FundersNatural Sciences and Engineering Research Council of CanadaSchweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung
KeywordsPhotoionizationChemistryFragmentation (computing)IonizationIonic bondingIonPhotochemistryProton affinityMoleculeAnalytical Chemistry (journal)ProtonationOrganic chemistry

Abstract

fetched live from OpenAlex

The fragmentation of methanol, water, dimethyl ether, and acetic acid clusters upon photoionization with a single vacuum ultraviolet (VUV) photon of 10.1 eV, 13.3 eV, or 17.5 eV energy is studied with mass spectrometry. The sodium-doping method is used as an independent approximate measure of the original cluster size distribution providing information on the degree of fragmentation upon VUV ionization. The experimental results show strong fragmentation for (CH(3))(2)O and CH(3)CO(2)H clusters but minor fragmentation for H(2)O and CH(3)OH clusters. The pronounced cluster decay for (CH(3))(2)O and CH(3)CO(2)H is explained by additional intracluster chain reactions that occur after the initial fast proton transfer in the ionic clusters, i.e. the decay of (CH(3))(2)O molecules into H(2), CO, and CH(4) catalyzed by the methoxymethyl radical, and the decay of CH(3)CO(2)H molecules into CO(2) and CH(4) catalyzed by the acetyloxy radical. The absence of equivalent reaction cycles in ionic H(2)O and CH(3)OH clusters after the fast proton transfer is consistent with the much less pronounced cluster fragmentation observed upon VUV ionization. The study shows that VUV photoionization even at threshold cannot in general be considered a soft ionization method for weakly-bound clusters, largely because of potential intracluster reaction.

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)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
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 score0.016
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
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 science0.0010.000
Research integrity0.0000.001
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 head0.015
GPT teacher head0.280
Teacher spread0.265 · 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

Citations51
Published2012
Admission routes2
Has abstractyes

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