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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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.004
Threshold uncertainty score0.013

Distilled classifier scores by category (both heads)

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)0.0040.000

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 head0.017
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; a candidate call from one source (direct Gemma or distilled Codex), 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

Citations5
Published2023
Admission routes1
Has abstractyes

Explore more

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