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Record W4387968832 · doi:10.1021/jacs.3c09082

Colossal C<sub>130</sub> Fullertubes: Soluble [5,5] C<sub>130</sub>-D<sub>5h</sub>(1) Pristine Molecules with 70 Nanotube Carbons and Two 30-Atom Hemifullerene End-caps

2023· article· en· W4387968832 on OpenAlexafffund
Emmanuel Bourret, Xiaoyang Liu, Cora A. Noble, Kevin Cover, T. Davidson, Rong Huang, Ryan M. Koenig, Kimberly S. Reeves, Ivan Vlassiouk, Michel Côté, Jefferey Baxter, Andrew R. Lupini, David B. Geohegan, Harry C. Dorn, Steven Stevenson

Bibliographic record

VenueJournal of the American Chemical Society · 2023
Typearticle
Languageen
FieldChemistry
TopicFullerene Chemistry and Applications
Canadian institutionsUniversité de Montréal
FundersDivision of ChemistryNatural Sciences and Engineering Research Council of CanadaAlliance de recherche numérique du Canada
KeywordsPolarizabilityChemistryFullereneMoleculeCarbon nanotubeAtom (system on chip)NanotechnologySelectivityCrystallographyComputational chemistryOrganic chemistryMaterials science

Abstract

fetched live from OpenAlex

We report the seminal experimental isolation and DFT characterization of pristine [5,5] C 130 -D 5h (1) fullertubes. This achievement represents the largest soluble carbon molecule obtained in its pristine form. The [5,5] C 130 species is the highest aspect ratio fullertube purified to date and now surpasses the recent gigantic [5,5] C 120 -D 5d (1). In contrast to C 90, C 100, and C 120 fullertubes, the longer C 130 -D 5h has more nanotubular carbons (70) than end-cap fullerenyl atoms (60). Starting from 39,393 possible C 130 isolated pentagon rule (IPR) structures and after analyzing polarizability, retention time, and UV–vis spectra, these three layers of data remarkably predict a single candidate isomer and fullertube, [5,5] C 130 -D 5h (1). This structural assignment is augmented by atomic resolution STEM data showing distinctive and tubular “pill-like” structures with diameters and aspect ratios consistent with [5,5] C 130 -D 5h (1) fullertubes. The high selectivity of the aminopropanol reaction with spheroidal fullerenes permits facile separation and removal of fullertubes from soot extracts. Experimental analyses (HPLC retention time, UV–vis, and STEM) were synergistically used (with polarizability and DFT property calculations) to down select and confirm the C 130 fullertube structure. Achieving the isolation of a new [5,5] C 130 -D 5h fullertube opens the door to application development and fundamental studies of electron confinement, fluorescence, and metallic character for a fullertube series of molecules with systematic tubular elongation. This [5,5] fullertube family also invites comparative studies with single-walled carbon nanotubes (SWCNTs), nanohorns (SWCNHs), and fullerenes.

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 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 score0.028
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.001
Science and technology studies0.0010.002
Scholarly communication0.0000.000
Open science0.0010.001
Research integrity0.0000.002
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 head0.009
GPT teacher head0.228
Teacher spread0.219 · 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

Citations14
Published2023
Admission routes2
Has abstractyes

Explore more

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