Data · collection · 2015
Insight into the activity of efficient acid–base bifunctional catalysts for the coupling reaction of CO 2
Listed in DataCite
The fixation of carbon dioxide with epoxide catalysed by a series of carboxylic acidic functionalised ionic liquids (ILs) catalysts is investigated by density functional theory method.
Description
Except for the catalysts reported by the experiment, the catalytic activity of a new designed catalyst (4c see Scheme 1) is also explored. These ILs are categorised into four groups according to the different cation structures and number of functional groups.
The effects of different chain length, anion, and cation structure on the catalytic activity are explored. The elongation of alkyl chain length in cation will increase the product yield, while increasing the chain bulk has almost negligible effect on the enhancement of catalytic activity. Utilisation of imidazole group as the cation is better than pyridine group.
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And the cation with two functional groups will have a better catalytic activity than that with one functional group.
Links
Where it is published
- Repository landing page tandf.figshare.com/collections/Insight_into_the_activity_of_efficient_acid_base_b… ↗
landing page · from DataCite
- Repository landing page tandf.figshare.com/collections/Insight_into_the_activity_of_efficient_acid_base_b… ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.c.2089364 ↗
DOI / persistent id · from DataCite
- DOI doi.org/10.6084/m9.figshare.c.2089364.v1 ↗
DOI / persistent id · from DataCite
Documentation and papers
Catalogue records · 4
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.c.2089364.v1 ↗
metadata API · from DataCite
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.c.2089364 ↗
metadata API · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.c.2089364.v1 ↗
catalogue entry · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.c.2089364 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Biological sciences · Biological sciences · Clinical medicine · Clinical medicine
- From keywords
- Chemistry · Chemistry · Life Sciences · Life Sciences
- Inferred from text
- Density functional theory 75%
Provenance · 2 source records, 16 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.c.2089364 | 15 d ago | JSON v1 |
| DataCite | 10.6084/m9.figshare.c.2089364.v1 | 15 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| concepts[field].fos:biological-sciences | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:biological-sciences | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:clinical-medicine | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:clinical-medicine | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Chemistry'] |
| concepts[field].local:field:chemistry | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Chemistry'] |
| concepts[field].local:field:life-sciences | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Biological Sciences'] |
| concepts[field].local:field:life-sciences | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Biological Sciences'] |
| concepts[method].local:method:dft | enrichment · DataCite | keyword-concept-rules@1.0.0 | title+description (75%) |
| created_date | source · DataCite | connector:datacite@1.0.0 | |
| description | source · DataCite | connector:datacite@1.0.0 | /data/attributes/descriptions |
| license | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| publication_date | source · DataCite | connector:datacite@1.0.0 | /data/attributes/dates |
| title | source · DataCite | connector:datacite@1.0.0 | /data/attributes/titles/0/title |
| updated_date | source · DataCite | connector:datacite@1.0.0 |