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Record W2015050475 · doi:10.1021/jp060831c

<sup>13</sup>C and <sup>2</sup>H NMR Study of Structure and Dynamics in Banana <i>B</i><sub>2</sub> Phase of a Bent-Core Mesogen

2006· article· en· W2015050475 on OpenAlexaff
Jiadi Xu, Ronald Y. Dong, Valentina Domenici, Katalin Fodor‐Csorba, C. A. Veracini

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2006
Typearticle
Languageen
FieldMaterials Science
TopicLiquid Crystal Research Advancements
Canadian institutionsBrandon UniversityUniversity of Manitoba
Fundersnot available
KeywordsMesogenIsotopomersNMR spectra databasePhase (matter)CrystallographyChemistryProton NMRNuclear magnetic resonance spectroscopyLiquid crystalRelaxation (psychology)Carbon-13 NMR satelliteSolid-state nuclear magnetic resonanceRing (chemistry)Molecular dynamicsSpectral lineMaterials scienceNuclear magnetic resonanceStereochemistryComputational chemistryPhysicsMoleculeFluorine-19 NMRLiquid crystallineOrganic chemistry

Abstract

fetched live from OpenAlex

In this paper, the difficulty in orienting the B(2) phase of the banana mesogen 1,3-Phenylene-bis 4-[4-(10-undecenyloxy)-benzoyloxy] benzoate (Pbis11BB) in a relatively high magnetic field is reported based on some observations using both (13)C and (2)H NMR. (2)H NMR spectra recorded for the two labeled isotopomers of Pbis11BB in the isotropic and B(2) phases are shown here. Preliminary results on the deuteron spin-spin relaxation (T(2)) data are reported at 61 MHz in order to underline the peculiar slow dynamics of banana-shaped liquid crystals (BLC), and these results are discussed in the framework of recent studies on similar BLC. The molecular structure and dynamics in the B(2) and crystalline phases are also studied by (13)C solid-state NMR techniques. The results also point to the slow dynamics in the B(2) phase of Pbis11BB. In particular, two-dimensional MAS exchange experiment has been performed to shed light on the molecular conformation structure of the five-ring banana core in the crystalline phase of Pbis11BB, and to compare with that of quantum mechanical calculations reported in the literature.

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)0.000
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 score0.016
Threshold uncertainty score0.666

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
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 head0.011
GPT teacher head0.276
Teacher spread0.265 · 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

Citations33
Published2006
Admission routes1
Has abstractyes

Explore more

Same venueThe Journal of Physical Chemistry BSame topicLiquid Crystal Research AdvancementsFrench-language works237,207