MétaCan
Menu
Back to cohort
Record W2415737767 · doi:10.1021/acs.cgd.5b01342

Anion and Cation Effects on Anion-Templated Assembly of Tetrahydroxytriptycene

2015· article· en· W2415737767 on OpenAlexaff
Nicholas G. White, Mark J. MacLachlan

Bibliographic record

VenueCrystal Growth & Design · 2015
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsUniversity of British Columbia
Fundersnot available
KeywordsAcetonitrileChemistryBromideHydrogen bondTetramethylammoniumLigand (biochemistry)Inorganic chemistryCrystallizationPolymerCrystallographyIonPolymer chemistryMoleculeOrganic chemistry

Abstract

fetched live from OpenAlex

A tetrahydroxytriptycene ligand 1 assembles through O–H···anion hydrogen bonds into a range of different structures. With tetrabutylammonium bromide, 1 forms a stable nanotube structure that is supported by O–H···anion hydrogen bonds, but its space is occupied by the large cation. In an effort to produce the nanotubes with different cations and anions, 1 was crystallized with different salts. The reaction of 1 with tetraethylammonium bromide gives a 2D net structure, while 1 and tetrapropylammonium bromide give a discrete 1:2 complex. Attempting to co-crystallize 1 and tetramethylammonium bromide gave crystals of an oxidized quinone form of the ligand. When 1 was crystallized with tetrabutylammonium terephthalate, two different one-dimensional anion coordination polymers were obtained, depending on the crystallization solvent: acetonitrile gave a zigzag polymer, while methanol gave a linear structure. In both cases, the tetrabutylammonium cations fill the gaps between the 1D polymers, giving a layered 2D morphology. The wide range of architectures prepared from a relatively simple ligand illustrates the potential utility of O–H···anion interactions for constructing solid-state materials.

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)0.001
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 score0.047
Threshold uncertainty score0.779

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
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 head0.027
GPT teacher head0.243
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

Citations16
Published2015
Admission routes1
Has abstractyes

Explore more

Same venueCrystal Growth & DesignSame topicMetal-Organic Frameworks: Synthesis and ApplicationsFrench-language works237,207