MétaCan
Menu
Back to cohort
Record W2081887248 · doi:10.1021/ja0742535

Frustrated 2D Molecular Crystallization

2007· article· en· W2081887248 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueJournal of the American Chemical Society · 2007
Typearticle
Languageen
FieldEngineering
TopicSurface Chemistry and Catalysis
Canadian institutionsUniversité de MontréalPolytechnique Montréal
Fundersnot available
KeywordsTrimesic acidChemistryHydrogen bondCrystallizationCrystallographyMoleculeIsophthalic acidInteraction energyStereochemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Grafting isophthalic acid groups to linear connectors produces tetracarboxylic acids 2 − 4, which are extended analogues of trimesic acid ( 1 ). Normal pairwise association of -COOH groups induces trimesic acid to form a hexagonal network held together by six hydrogen bonds per molecule. In contrast, analogues 2 − 4 are designed to form two polymorphs, parallel network II and Kagomé network III, which are linked by eight hydrogen bonds per molecule. The particular connectivity of these networks allows a smooth transition from one to the other without introducing discontinuities in hydrogen bonding. DFT calculations suggest that subtle differences in hydrogen bonding favor parallel motif II for short tetraacid 2 and Kagomé motif III for long tetraacid 4, whereas the two motifs are closely similar in energy for intermediate tetraacid 3 . These preferences were confirmed by using STM to image the adsorption of compounds 2 − 4 on graphite. 2D crystallization of tetraacid 3 is frustrated, presumably because the two motifs are matched in energy and can merge smoothly. Nevertheless, adsorption of compound 3 shows a high degree of order, and most molecules have specific orientations relative to their neighbors, as dictated by motifs II and III . Such assemblies reveal the structure of a locally ordered 2D molecular glass, and they offer guidelines for the design of new aperiodic molecular 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.

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 score0.008
Threshold uncertainty score0.242

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 head0.005
GPT teacher head0.214
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