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Record W4320920568 · doi:10.4236/ojic.2023.131001

Effect of Changing Anion on the Crystalline Structure, Crystal Structure, Hirschfield Surface, IR and NMR Spectroscopy of Organic Salts and Hybrid Compounds: C<sub>6</sub>H<sub>4</sub>(NH<sub>3</sub>)<sub>2</sub>Cl<sub>2</sub> (I), <i>β</i>-[C<sub>6</sub>H<sub>10</sub>N<sub>2</sub>]<sub>2</sub>ZnCl<sub>4</sub> (II), Respectively

2023· article· en· W4320920568 on OpenAlexfundno aff
Nejeh Hannachi, R. Elwej, Thierry Roisnel, F. Hlel

Bibliographic record

VenueOpen Journal of Inorganic Chemistry · 2023
Typearticle
Languageen
FieldMaterials Science
TopicSolid-state spectroscopy and crystallography
Canadian institutionsnot available
FundersInstitute of Circulatory and Respiratory HealthCentre National de la Recherche Scientifique
KeywordsMonoclinic crystal systemInfrared spectroscopyCationic polymerizationCrystallographyCrystal structureSpectroscopySingle crystalIntermolecular forceHydrogen bondChemistryChlorideAbsorption spectroscopyNuclear magnetic resonance spectroscopyHydrothermal circulationInorganic chemistryStereochemistryMoleculeOrganic chemistryChemical engineering

Abstract

fetched live from OpenAlex

Two organic-inorganic hybrid materials, C6H4(NH3)2∙Cl2 (I) and β-[C6H10N2]2ZnCl4 (II), have been synthesized by hydrothermal method. These two materials are one of the hybrid materials have emerged as one of the most brilliant components classes. These extraordinary compounds synergistically combine the desired physical properties of both organic and inorganic components into a single compound offering the possibility to achieve great improvement over time in terms of science across various sectors. Their structures were determined by XRD pattern investigations and single crystal X-ray diffraction. These two compounds are crystallized in the monoclinic system; C2/c space group. In the both structures, the anionic-cationic entities are interconnected by hydrogen bonding contacts and p-p Interaction forming three-dimensional networks. Intermolecular interactions were investigated by Hirshfeld surfaces and the contacts of the four different chloride atoms in (II) were compared. The vibrational absorption bands were identified by infrared spectroscopy. These compounds were also investigated by solid state13C NMR spectroscopy.

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)0.072
metaresearch head score (Gemma)0.058
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch, Meta-epidemiology (narrow), Meta-epidemiology (broad), Bibliometrics, Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMetaresearch, Meta-epidemiology (narrow), Meta-epidemiology (broad), Bibliometrics, Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.517
Threshold uncertainty score0.981

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0720.058
Meta-epidemiology (narrow)0.0770.083
Meta-epidemiology (broad)0.0740.041
Bibliometrics0.0430.073
Science and technology studies0.0420.041
Scholarly communication0.0370.033
Open science0.0720.046
Research integrity0.0470.068
Insufficient payload (model declined to judge)0.0500.071

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 head0.017
GPT teacher head0.270
Teacher spread0.253 · 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; both teacher heads agree on what is shown here.

Study designNot applicable
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

Citations5
Published2023
Admission routes1
Has abstractyes

Explore more

Same venueOpen Journal of Inorganic ChemistrySame topicSolid-state spectroscopy and crystallographyFrench-language works237,207