Understanding of Co(I)-Catalyzed Hydrogenation of C=C and C=O Substrates
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| Title: | Understanding of Co(I)-Catalyzed Hydrogenation of C=C and C=O Substrates |
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| Authors: | Tilong Yang, Fu Kit Sheong, Zhenyang Lin |
| Source: | Topics in Catalysis. 65:472-480 |
| Publisher Information: | Springer Science and Business Media LLC, 2021. |
| Publication Year: | 2021 |
| Subject Terms: | Cobalt catalyst, PIO, Hydrogenation, DFT calculations, Structure and bonding analysis, 01 natural sciences, 7. Clean energy, 0104 chemical sciences, 12. Responsible consumption |
| Description: | The first-row transition metal catalysis often serves as a complementary strategy to traditional precious metal catalysis. Other than their advantages in abundance and sustainability, their unique electronic properties often give rise to more complicated reactivities. Co-catalyzed hydrogenation is an example of these relatively underexplored first-row transition metal catalysis. In this work, we will focus on an example of Co-catalyzed hydrogenation, which was reported to be able to selectively hydrogenate C=C but not C=O. We have performed DFT calculations on the model reactions, accompanied by a series of structure and bonding analysis, to investigate the underlying reason for the observed selectivity. We have identified the predominant σ-donating nature of phosphine and the π-accepting nature of C=C/C=O fragments upon interaction with Co(I) center, and we have also analyzed why these differences would lead to different coordination geometry, stability, and reactivity. We anticipate that all these analyses would advance our understanding in Co(I) catalysis and are beneficial for future Co-based catalyst design. |
| Document Type: | Article |
| Language: | English |
| ISSN: | 1572-9028 1022-5528 |
| DOI: | 10.1007/s11244-021-01481-6 |
| Access URL: | https://repository.ust.hk/ir/Record/1783.1-112269 https://link.springer.com/article/10.1007/s11244-021-01481-6 |
| Rights: | Springer Nature TDM |
| Accession Number: | edsair.doi.dedup.....b4ff8dcdac34f524153de53ba5c1b0f9 |
| Database: | OpenAIRE |
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Nájsť tento článok vo Web of Science | Abstract: | The first-row transition metal catalysis often serves as a complementary strategy to traditional precious metal catalysis. Other than their advantages in abundance and sustainability, their unique electronic properties often give rise to more complicated reactivities. Co-catalyzed hydrogenation is an example of these relatively underexplored first-row transition metal catalysis. In this work, we will focus on an example of Co-catalyzed hydrogenation, which was reported to be able to selectively hydrogenate C=C but not C=O. We have performed DFT calculations on the model reactions, accompanied by a series of structure and bonding analysis, to investigate the underlying reason for the observed selectivity. We have identified the predominant σ-donating nature of phosphine and the π-accepting nature of C=C/C=O fragments upon interaction with Co(I) center, and we have also analyzed why these differences would lead to different coordination geometry, stability, and reactivity. We anticipate that all these analyses would advance our understanding in Co(I) catalysis and are beneficial for future Co-based catalyst design. |
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| ISSN: | 15729028 10225528 |
| DOI: | 10.1007/s11244-021-01481-6 |