Data · dataset · 2024
Acceleration of the Diels-Alder reaction between 9-functionalized anthracenes and C60/C70 in the cavity of a water soluble (dataset)
Listed in e-cienciaDatos
Herein we report on the acceleration of the Diels-Alder reaction between a series of 9- functionalized anthracenes and C60/C70 encapsulated in a water-soluble metallo-organic Pd(II)-subphthalocyanine cage (SubPc-cage), which performs as a catalytic molecular reactor that provides a beneficial hydrophobic environment.
Description
Negatively and positively charged anthracenes do not react either with C60 or C70, due to a favored solvation in water medium and/or to detrimental interactions with positively-charged Pd(II) corners of SubPc-cage.
Experiments with C60 and C70 rendered parallel results, although C70 proved more reactive, leading to anthracene cycloadducts by reaction in the α bonds. All the results have been rationalized by theoretical calculations at the GFN2-xTB level. Structural and photophysical characterization of compounds (Raw data).
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Supplementary material of the paper published in doi:10.1002/adsc.202301336
Links
Where it is published
- Dataverse dataset page edatos.consorciomadrono.es/dataset.xhtml?persistentId=doi%3A10.21950%2F9MBDR9 ↗
landing page · from edatos consorciomadrono es
- DOI doi.org/10.21950/9mbdr9 ↗
DOI / persistent id · from edatos consorciomadrono es
Catalogue records · 1
- Dataverse API edatos.consorciomadrono.es/api/datasets/:persistentId/?persistentId=doi%3A10.21950%2F9MBD… ↗
metadata API · from edatos consorciomadrono es
Topics
- Stated by source
- Química
- From keywords
- Psychology & Behavioral Science
Provenance · 1 source records, 8 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| e-cienciaDatos | doi:10.21950/9MBDR9 | 13 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].dataverse_subject:qu-mica | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /subjects |
| concepts[field].local:field:psychology-behavioral | mapping · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /subjects |
| created_date | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | |
| description | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /description |
| publication_date | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | |
| title | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /name |
| updated_date | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | |
| version_label | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 |