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Record W4281712586 · doi:10.1080/00268976.2022.2085204

Predissociation spectroscopy of cold CN<sup>−</sup>H<sub>2</sub> and CN<sup>−</sup>D<sub>2</sub>

2022· article· en· W4281712586 on OpenAlexaff
Franziska Dahlmann, Pavol Jusko, Miguel Lara‐Moreno, Philippe Halvick, Aravindh N. Marimuthu, Tim Michaelsen, R. J. Wild, Katharina Geistlinger, Stephan Śchlemmer, Thierry Stoecklin, Roland Wester, Sandra Brünken

Bibliographic record

VenueMolecular Physics · 2022
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsQueen's University
FundersHorizon 2020 Framework ProgrammeNederlandse Organisatie voor Wetenschappelijk OnderzoekAustrian Science FundAgence Nationale de la RechercheDeutsche Forschungsgemeinschaft
KeywordsChemistryOvertoneSpectral lineSpectroscopyInfrared spectroscopyCrystallographyAtomic physicsPhysics

Abstract

fetched live from OpenAlex

The vibrational predissociation spectra of the CN–H2 and CN–D2 complexes are measured in regions between 450 and 3100 cm−1 in an ion trap at different temperatures at the free electron lasers for infrared experiments (FELIX) Laboratory. Strong differences between the vibrational spectra of the two para and ortho nuclear spin isomers (CN–(p-H2) or CN–(o-H2) and CN–(p-D2) or CN–(o-D2)) are detected. In the case of CN–H2 we could assign the observed bands with the help of an accurate quantum calculation. The spectrum is dominated by the first overtone of the hindered H2 rotation in combination with the hindered CN rotation of the CN–(o-H2) nuclear spin isomer. The energetically higher-lying CN–(p-H2) isomer was not observed due to efficient ortho-para ligand exchange. The C–N stretching mode was recorded at 2040(1) cm−1. For the CN–D2 system several vibrational modes of both spin isomers overlap in their low-lying intermonomer streching and bending region, but the main observed bands are attributed to the more stable CN–(p-D2) spin isomer. The D–D stretching vibration was found to be at 2898(1) cm−1.

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 score0.063
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
Science and technology studies0.0010.000
Scholarly communication0.0000.000
Open science0.0000.001
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 head0.005
GPT teacher head0.214
Teacher spread0.209 · 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

Citations4
Published2022
Admission routes1
Has abstractyes

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