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Record W416837007 · doi:10.1021/jp907214a

Determination of the Structure of Cyclopentene Oxide and the Argon−Cyclopentene Oxide van der Waals Complex

2009· article· en· W416837007 on OpenAlexaff
Andrea J. Minei, Jennifer van Wijngaarden, Stewart E. Novick, Wallace C. Pringle

Bibliographic record

VenueThe Journal of Physical Chemistry A · 2009
Typearticle
Languageen
FieldChemical Engineering
TopicChemical Safety and Risk Management
Canadian institutionsUniversity of Manitoba
Fundersnot available
KeywordsArgonvan der Waals forceVan der Waals strainVan der Waals surfacePhysicsVan der Waals radiusAtomic physicsMoleculeQuantum mechanics

Abstract

fetched live from OpenAlex

Rotational spectra of cyclopentene oxide and the argon-cyclopentene oxide van der Waals complex were studied using pulsed-jet Fabry-Perot Fourier transform microwave (FTMW) spectroscopy. Spectra of the parent along with those of the (13)C and (18)O singly substituted isotopologues, in natural abundance, of the monomer and of the complex were measured in the frequency region of 5-26.5 GHz. The complete heavy atom substitution structure was determined for the monomer and complex. The boat structure for cyclopentene oxide was confirmed with naturally abundant (13)C and (18)O isotopes. For the argon cyclopentene oxide complex, both a and b-type transitions were observed and the rotational constants for the all-(12)C (16)O isotopologue were determined to be A = 3268.254(2), B = 993.345(1), and C = 950.430(9) MHz. The r(0) coordinates of the argon in the principal axis system of cyclopentene oxide are a = 0.27, b = 0.42, and c = 3.91 A, such that the argon is exo to the boat of the ring and on the opposite side of the ring from the oxygen and is 0.42 A off to the side and 0.27 A from the center of mass toward the back end of the ring (again away from the oxygen). Large amplitude van der Waals bending vibrations require an averaging model to account for differences between the observed complex and monomer planar moments of inertia.

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 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 score0.012
Threshold uncertainty score0.304

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 integrity0.0000.000
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 head0.007
GPT teacher head0.226
Teacher spread0.220 · 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.

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

Citations0
Published2009
Admission routes1
Has abstractyes

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