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Record W2045291226 · doi:10.1002/poc.1305

Solvent effects on ion pairing of tetra‐<i>n</i>‐butylammonium cyanide. A conductometric study

2007· article· en· W2045291226 on OpenAlexaff
Susanna MacMillar, Yao‐ren Fang, Kenneth Charles Westaway, Olle Matsson, Per Beronius

Bibliographic record

VenueJournal of Physical Organic Chemistry · 2007
Typearticle
Languageen
FieldChemistry
TopicChemical Reaction Mechanisms
Canadian institutionsLaurentian University
FundersVetenskapsrådet
KeywordsChemistryReagentConductometrySolventInorganic chemistryNucleophilic substitutionDissociation (chemistry)Equilibrium constantTetrahydrofuranConductivitySolvent effectsMedicinal chemistryPhysical chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract Tetra‐ n ‐butylammonium cyanide ( n ‐Bu 4 NCN) is a commonly used reagent, for example, for the synthesis of nitriles. Recently n ‐Bu 4 NCN has been used as the nucleophilic reagent in kinetic isotope effect studies of nucleophilic aliphatic substitution reactions. The present research concerns the aggregation status (dissociated ions, ion pairs, higher aggregates) and transport properties of n ‐Bu 4 NCN in water, dimethyl sulfoxide (DMSO), and tetrahydrofuran (THF), at 25°C as studied by means of precision conductometry. These properties are of great importance since both non‐polar and dipolar aprotic solvents are commonly used in the applications. In water as solvent the equilibrium constant for ion‐pair formation, K p = 10.1 and the limiting molar conductivity, Λ o = 102.4 cm 2 Ω −1 mol −1 . The corresponding values for DMSO are K p = 1.98 ± 0.19 and Λ o = 34.59 ± 0.03 cm 2 Ω −1 mol −1 . These data imply that the degree of dissociation, in contrast to the expectations, is higher in DMSO than in water at the same salt concentration. In THF, the conductance as a function of concentration shows a minimum typical for solvents with low relative permittivity, indicating the formation of higher aggregates. The equilibrium constant for ion‐pair formation and conductivity in THF is K p = 58.4 × 10 3 and Λ o = 9.81 cm 2 Ω −1 mol −1 . Copyright © 2007 John Wiley &amp; Sons, Ltd.

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)0.001
metaresearch head score (Gemma)0.001
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 score0.002
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0010.000

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 head0.010
GPT teacher head0.262
Teacher spread0.252 · 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
Published2007
Admission routes1
Has abstractyes

Explore more

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