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Record W4401480429 · doi:10.1021/acsphyschemau.4c00036

Time-Resolved Probing of the Iodobenzene C-Band Using XUV-Induced Electron Transfer Dynamics

2024· article· en· W4401480429 on OpenAlexaff
James Unwin, Weronika O. Razmus, Felix Allum, James Harries, Yoshiaki Kumagai, Kiyonobu Nagaya, Mathew Britton, M. Brouard, P. H. Bucksbaum, Mizuho Fushitani, Ian Gabalski, T. Gejo, Paul Hockett, Andrew J. Howard, Hiroshi Iwayama, Edwin Kukk, C.C. Lam, Joseph McManus, Russell S. Minns, Akinobu Niozu, Sekito Nishimuro, Johannes Niskanen, Shigeki Owada, James D. Pickering, Daniel Rolles, James Somper, K. Ueda, S. Wada, Tiffany Walmsley, Joanne L. Woodhouse, Ruaridh Forbes, Michael Burt, Emily M. Warne

Bibliographic record

VenueACS Physical Chemistry Au · 2024
Typearticle
Languageen
FieldChemistry
TopicRadioactive element chemistry and processing
Canadian institutionsNational Research Council Canada
FundersSLAC National Accelerator LaboratoryBasic Energy SciencesRIKENAcademy of FinlandJapan Society for the Promotion of ScienceLeverhulme TrustUniversity of SouthamptonTokyo University of AgricultureUniversity of OxfordTurun YliopistoUniversity of LeicesterEngineering and Physical Sciences Research CouncilTokyo University of Agriculture and Technology
KeywordsIodobenzeneExcited stateChemistryDissociation (chemistry)Electron transferPhotodissociationGround stateIonizationPhotochemistryBond-dissociation energyAtomic physicsSpectroscopyExtreme ultravioletIonization energyAnalytical Chemistry (journal)IonPhysical chemistryPhysicsLaser

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Time-resolved extreme ultraviolet spectroscopy was used to investigate photodissociation within the iodobenzene C-band. The carbon–iodine bond of iodobenzene was photolyzed at 200 nm, and the ensuing dynamics were probed at 10.3 nm (120 eV) over a 4 ps range. Two product channels were observed and subsequently isolated by using a global fitting method. Their onset times and energetics were assigned to distinct electron transfer dynamics initiated following site-selective ionization of the iodine photoproducts, enabling the electronic states of the phenyl fragments to be identified using a classical over-the-barrier model for electron transfer. In combination with previous theoretical work, this allowed the corresponding neutral photochemistry to be assigned to (1) dissociation via the 7B 2, 8A 2, and 8B 1 states to give ground-state phenyl, Ph(X), and spin–orbit excited iodine and (2) dissociation through the 7A 1 and 8B 2 states to give excited-state phenyl, Ph(A), and ground-state iodine. The branching ratio was determined to be 87 ± 4% Ph(X) and 13 ± 4% Ph(A). Similarly, the corresponding amount of energy deposited into the internal phenyl modes in these channels was determined to be 44 ± 10 and 65 ± 21%, respectively, and upper bounds to the channel rise times were found to be 114 ± 6 and 310 ± 60 fs.

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 score0.023
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 science0.0000.000
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 head0.013
GPT teacher head0.255
Teacher spread0.242 · 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

Citations1
Published2024
Admission routes1
Has abstractyes

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