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Record W2088508780 · doi:10.1021/ja076584n

1-Hexene Isomerization over Sulfated Mesoporous Ta Oxide:  The Effects of Active Site and Confinement

2007· article· en· W2088508780 on OpenAlexaff
Yuxiang Rao, Junjie Kang, David M. Antonelli

Bibliographic record

VenueJournal of the American Chemical Society · 2007
Typearticle
Languageen
FieldEngineering
TopicCatalysis and Hydrodesulfurization Studies
Canadian institutionsUniversity of Windsor
Fundersnot available
KeywordsChemistryIsomerizationMesoporous materialHexeneCatalysisZeolitePyridineLewis acids and basesSelectivityOxideOrganic chemistry

Abstract

fetched live from OpenAlex

The isomerization of 1-hexene at 343 K was conducted over a series of sulfated mesoporous Ta oxides with pore sizes ranging from 12 to 30 Å. The results were compared to the popular industrial catalysts HY-zeolite, H-ZSM5, and Amberlyst 15. The conversion of 1-hexene to trans / cis -2-isomers can reach 95.89% in 4 h, which is roughly 2 times faster than Amberlyst 15 and 20 times faster than HY-zeolite and H-ZSM5. GC analysis confirmed that trans- and cis -2-hexene isomers formed through a double bond shift process as the only two principal products. The molar ratio of trans / cis -2-hexene isomers varies with pore size, clearly showing confinement effects in this process. The selectivity of our best material toward the trans -isomer is at least 3 times greater than that of either zeolite or Amberlyst 15. The best catalytic results in this study were achieved when using C 12 H 2 SO 4 mesoporous Ta oxide, which possesses a p K a of −8.2 and 19.8 mmol/g acid sites. The X-ray diffraction pattern showed complete retention of the mesostructure throughout catalysis as evidenced by a single broad reflection. Pyridine adsorption and infrared spectroscopy (IR) suggest that both Brønsted sites (∼1538 cm -1 ) and Lewis sites (∼1443 cm -1 ) coexist on the surface of these materials. The large amount of Brønsted acid sites, high BET surface areas, high acid strength Ho, and superior diffusion properties of C 12 H 2 SO 4 mesoporous Ta oxide are probably responsible for its extremely high catalytic activity and selectivity.

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 score0.004

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)0.0010.000

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 head0.003
GPT teacher head0.212
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 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

Citations40
Published2007
Admission routes1
Has abstractyes

Explore more

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