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Record W4405839132 · doi:10.1021/acs.jpca.4c07507

Spectroscopy and Dynamics of the Dipole-Bound States of <i>ortho</i>-, <i>meta</i>-, and <i>para</i>-Methylphenolate Anions

2024· article· en· W4405839132 on OpenAlexaff
Jinwoo Kim, Junggil Kim, Sang Kyu Kim

Bibliographic record

VenueThe Journal of Physical Chemistry A · 2024
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsKootenay Association for Science & Technology
FundersNational Research Foundation of Korea
KeywordsChemistryBinding energyDipoleIonMetastabilityAtomic physicsSpectroscopyX-ray photoelectron spectroscopyPicosecondElectronNuclear magnetic resonancePhysics

Abstract

fetched live from OpenAlex

A photodetachment and photoelectron spectroscopic study by employing a cryogenically cooled ion trap combined with a velocity-map imaging setup has been carried out to unravel the vibrational structures and autodetachment dynamics of the dipole-bound states (DBSs) of o -, m -, and p -methylphenolate anions ( o -, m -, and p -CH 3 PhO – ). The electron binding energy of the DBS increases monotonically with the increase of the neutral dipole moment to give respective values of 66 ± 15, 123 ± 18, or 154 ± 14 cm –1 for the o -, m -, or p -isomer. The different electron-donating effects of the methyl moieties in the three geometrically different isomers seem to be reflected in the experiment. Mode-specific DBS dynamics of the o -, m -, and p -CH 3 PhO – complexes have been interrogated by using picosecond time-resolved photoelectron velocity-map imaging spectroscopy. Autodetachment lifetimes of the DBS vibrational Feshbach resonances have been measured and discussed quantitatively using Fermi’s golden rule, especially in comparison with those of the phenoxide anion to get insights into the methyl substitution effect on the electron binding dynamics of the metastable DBS.

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)0.000
metaresearch head score (Gemma)0.000
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 score0.006

Distilled classifier scores by category (both heads)

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 science0.0000.000
Research integrity0.0000.001
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 head0.008
GPT teacher head0.258
Teacher spread0.251 · 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

Citations1
Published2024
Admission routes1
Has abstractyes

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