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Record W3026974323 · doi:10.1002/cphc.202000320

Induced Protic Behaviour in Aprotonic Ionic Liquids by Anion Basicity for Efficient Carbon Dioxide Capture

2020· article· en· W3026974323 on OpenAlexfundno aff
Darius J. Yeadon, Johan Jacquemin, Natalia V. Plechkova, Manuel Maréchal, Kenneth R. Seddon

Bibliographic record

VenueChemPhysChem · 2020
Typearticle
Languageen
FieldChemical Engineering
TopicIonic liquids properties and applications
Canadian institutionsnot available
FundersQueen's UniversityQueen's University Belfast
KeywordsChemistryCarboxylateZwitterionPhosphoniumIonic liquidHydroxideInorganic chemistryIonHydrogen bondMedicinal chemistryPhotochemistryMoleculeStereochemistryCatalysisOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract The interactions between aprotonic tetrabutylphosphonium carboxylate ionic liquids (ILs), [P 4 4 4 4 ][C n COO] ( n =1, 2 and 7), and water were investigated. The cation‐anion interactions occur via the α ‐ 1 H on [P 4 4 4 4 ] + and the carboxylate headgroup of the anion. Upon addition, H 2 O localises around the carboxylate headgroups, inducing an electron inductive effect towards the oxygens, leading to ion‐pair separation. Studies with D 2 O and [P 4 4 4 4 ][C n COO] revealed protic behaviour of the systems, with proton/deuterium exchange occurring at the α‐ 1 H of the cation, promoted by the basicity of the anion, forming an intermediate ylide. The greater influence of van der Waals forces of the [P 4 4 4 4 ][C 7 COO] system allows for re‐orientation of the ions through larger interdigitation. The protic behaviour of the neat ILs allows for CO 2 to be chemically absorbed on the ylide intermediate, forming a phosphonium‐carboxylate zwitterion, signifying proton exchange occurs even in the absence of H 2 O. The absorption of CO 2 in equimolar IL‐H 2 O mixtures forms a hydrogen carbonate, through a proposed reaction of the CO 2 with an intermediate hydroxide, and carboxylic acid.

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 score0.096
Threshold uncertainty score0.927

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 integrity0.0000.000
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 head0.018
GPT teacher head0.234
Teacher spread0.216 · 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

Citations21
Published2020
Admission routes1
Has abstractyes

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