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Record W4413871725 · doi:10.1038/s42004-025-01672-2

The femtochemistry of nitrobenzene following excitation at 240 nm

2025· article· en· W4413871725 on OpenAlexaff
C.C. Lam, Tai‐Che Chou, Joseph McManus, Ciara Hodgkinson, Michael Burt, M. Brouard

Bibliographic record

VenueCommunications Chemistry · 2025
Typearticle
Languageen
FieldChemistry
TopicMass Spectrometry Techniques and Applications
Canadian institutionsTrent University
FundersEngineering and Physical Sciences Research CouncilResearch Councils UKUK Research and Innovation
KeywordsFemtochemistryNitrobenzeneExcitationChemistryPhysicsFemtosecondOpticsQuantum mechanicsOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

Abstract Although the photochemistry of nitrobenzene has been extensively studied, the assignment of fragmentation channels and their specific dynamics remains challenging. Here the photochemistry of nitrobenzene following 240 nm excitation into its S4 excited singlet state is investigated by femtosecond laser-induced ionization using an intense 800 nm pulse, coupled with time-resolved Coulomb explosion imaging and covariance mapping. We assign photochemical channels by observing correlations between the molecular fragment ions of the associated product pairs, enabling the time-resolved dynamics of channels leading to NO, NO2, and C6H5NO to be fully characterized. NO is produced via two distinct pathways, leading to translationally cold and hot photofragments with risetimes of ~ 8 ps and ~ 14 ps, respectively. NO2 photofragments are characterised by a bimodal risetime of ~ 8 ps and ≳ 2 ns, and can be detected within the first picosecond following ultra-violet photon absorption. C6H5NO is formed with a risetime of 17 ps. Kinetic energy disposals determined for the three chemical channels agree well with previous work. The techniques employed offer new opportunities to study the time-resolved photochemistry of relatively complex molecules in the gas phase.

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 score0.005
Threshold uncertainty score0.015

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 integrity0.0000.000
Insufficient payload (model declined to judge)0.0050.000

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 head0.013
GPT teacher head0.296
Teacher spread0.282 · 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

Citations3
Published2025
Admission routes1
Has abstractyes

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