Insight into the mechanism of semi-hydrogenation of phenylacetylene over Pd embedded in thioether functionalized Schiff-base linked covalent organic frameworks
We report a novel catalyst comprising palladium supported on thioether functionalized Schiff-base conjugated covalent organic frameworks, which significantly enhances the semi-hydrogenation conversion and selectivity of phenylacetylene. Theoretical calculations substantiate that the imide and thioether groups modify the electron density around Pd, reducing the energy barriers for phenylacetylene adsorption and styrene desorption, thereby improving the conversion and selectivity of the catalyst.
Authors
- Jinghui Lyu (ORCID: https://orcid.org/0000-0002-9376-3685)
- Yongwu Peng (ORCID: https://orcid.org/0000-0003-4760-5173)
- Xiao‐Nian Li
- Han Wu (ORCID: https://orcid.org/0000-0001-5043-5537)
- Qunfeng Zhang (ORCID: https://orcid.org/0000-0003-1079-2358)
- Chengrong Ding (ORCID: https://orcid.org/0000-0001-6000-3965)
- Yiyong Zhao (ORCID: https://orcid.org/0000-0002-5823-2926)
- Xinhui Zhang (ORCID: https://orcid.org/0000-0003-2987-4177)
- Jianyu Sun
- Jianxin Miao (ORCID: https://orcid.org/0009-0009-2012-6923)
Institutions
- Zhejiang University of Science and Technology (CN)
- Zhejiang University of Technology (CN)
Publication Details
- Journal
- Chemical Communications
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d4cc06758d
- Citations
- 4
- Primary Topic
- Covalent Organic Framework Applications
- Type
- article
- Field-Weighted Citation Impact
- 2.07