Mixed Materials
Understanding of Co(I)-Catalyzed Hydrogenation of C=C and C=O Substrates
| Title: | Understanding of Co(I)-Catalyzed Hydrogenation of C=C and C=O Substrates |
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| Additional Titles: | 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. © 2021, The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature. |
| Authors: | Yang, Tilong, Sheong, Fu Kit, Lin, Zhenyang |
| Publisher Information: | 2022 |
| Document Type: | Mixed materials |
| Index Terms: | Cobalt catalyst, DFT calculations, Hydrogenation, PIO, Structure and bonding analysis, Article |
| URL: | |
| Availability: | Open access content. Open access content |
| Note: | English |
| Other Numbers: | HNK oai:repository.hkust.edu.hk:1783.1-112269 Topics in Catalysis, v. 65, (104), February 2022, p. 472-480 1022-5528 1572-9028 1462190411 |
| Contributing Source: | HONG KONG UNIV OF SCI & TECH, THE From OAIster®, provided by the OCLC Cooperative. |
| Accession Number: | edsoai.on1462190411 |
| Database: | OAIster |
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