Table · dataset · 2026
Mechanistic Elucidation of Silylation with Disilane via π‑Allylpalladium Intermediates: Combined Experimentation and Automated Reaction Pathway Exploration
Listed in HKU DataHub and figshare and Loughborough Research Repository — shown once because both records carry DOI 10.1021/acs.organomet.6c00281.s003
We report a comprehensive mechanistic study combining experimental investigations, global reaction route mapping (GRRM)/artificial force-induced reaction (AFIR)-based automated reaction path exploration, and density functional theory (DFT) calculations.
Description
The computational results reveal that the reaction proceeds via oxidative addition of disilane to a π-allylpalladium species, followed by two successive reductive eliminations to afford the corresponding allylsilane.
This study provides mechanistic insights into palladium-catalyzed silylation with disilanes and offers a foundation for the rational design of bond-forming reactions using disilane.
Links
Where it is published
- DOI doi.org/10.1021/acs.organomet.6c00281.s003 ↗
DOI / persistent id · from datahub hku hk
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
metadata API · from datahub hku hk
Topics
- From keywords
- Astronomy & Astrophysics · Astronomy & Astrophysics · Astronomy & Astrophysics · Bioinformatics and computational biology · Bioinformatics and computational biology · Bioinformatics and computational biology · Chemistry · Chemistry · Chemistry · Computer Science & AI · Computer Science & AI · Density functional theory · Density functional theory · Density functional theory · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Economics & Finance · Economics & Finance · Engineering · Engineering · Humanities · Humanities · Infectious diseases · Infectious diseases · Infectious diseases · Life Sciences · Life Sciences · Life Sciences · Materials Science · Mathematics & Statistics · Medicine & Health · Medicine & Health · Medicine & Health · Microbiology · Microbiology · Microbiology · Ocean & Atmospheric Science · Psychology & Behavioral Science · Social Science · Social Science
Provenance · 3 source records, 46 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| HKU DataHub | oai:figshare.com:article/34003635 | 13 d ago | JSON v1 |
| figshare | oai:figshare.com:article/34003635 | 12 d ago | JSON v1 |
| Loughborough Research Repository | oai:figshare.com:article/34003635 | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · datahub hku hk | connector:datahub_hku_hk@1.0.0 | |
| concepts[field].anzsrc:field:320211 | mapping · datahub hku hk | vocabulary-mapper@1.0.0 | keywords['Infectious Diseases'] |
| concepts[field].anzsrc:field:320211 | mapping · repository lboro ac uk | vocabulary-mapper@1.0.0 | keywords['Infectious Diseases'] |
| concepts[field].anzsrc:field:320211 | mapping · figshare com | vocabulary-mapper@1.0.0 | keywords['Infectious Diseases'] |
| concepts[field].anzsrc:group:3102 | mapping · datahub hku hk | vocabulary-mapper@1.0.0 | keywords['Computational Biology'] |
| concepts[field].anzsrc:group:3102 | mapping · repository lboro ac uk | vocabulary-mapper@1.0.0 | keywords['Computational Biology'] |
| concepts[field].anzsrc:group:3102 | mapping · figshare com | vocabulary-mapper@1.0.0 | keywords['Computational Biology'] |
| concepts[field].anzsrc:group:3107 | mapping · datahub hku hk | vocabulary-mapper@1.0.0 | keywords['Microbiology'] |
| concepts[field].anzsrc:group:3107 | mapping · repository lboro ac uk | vocabulary-mapper@1.0.0 | keywords['Microbiology'] |
| concepts[field].anzsrc:group:3107 | mapping · figshare com | vocabulary-mapper@1.0.0 | keywords['Microbiology'] |
| concepts[field].local:field:astronomy | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:astronomy | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:astronomy | mapping · datahub hku hk | connector:datahub_hku_hk@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · datahub hku hk | connector:datahub_hku_hk@1.0.0 | |
| concepts[field].local:field:computer-science-ai | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:computer-science-ai | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · datahub hku hk | connector:datahub_hku_hk@1.0.0 | |
| concepts[field].local:field:economics-finance | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:economics-finance | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:engineering | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:engineering | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:humanities | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:humanities | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · datahub hku hk | connector:datahub_hku_hk@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:mathematics-statistics | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · datahub hku hk | connector:datahub_hku_hk@1.0.0 | |
| concepts[field].local:field:ocean-atmospheric | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:psychology-behavioral | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:social-science | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:social-science | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[method].local:method:dft | mapping · datahub hku hk | vocabulary-mapper@1.0.0 | keywords['density functional theory'] |
| concepts[method].local:method:dft | mapping · figshare com | vocabulary-mapper@1.0.0 | keywords['density functional theory'] |
| concepts[method].local:method:dft | mapping · repository lboro ac uk | vocabulary-mapper@1.0.0 | keywords['density functional theory'] |
| description | source · datahub hku hk | connector:datahub_hku_hk@1.0.0 | /metadata/dc/description |
| license | source · datahub hku hk | connector:datahub_hku_hk@1.0.0 | /metadata/dc/rights |
| publication_date | source · datahub hku hk | connector:datahub_hku_hk@1.0.0 | |
| title | source · datahub hku hk | connector:datahub_hku_hk@1.0.0 | /metadata/dc/title |