Issue 35, 2021

Theoretical insights on boron reducing agent for the reduction of carbonyl compounds

Abstract

In this perspective, we present computational progress in the reduction of carbonyl compounds using boron reducing agents, such as L·BH3, HBcat, HBpin, and 9-BBN. For the catalytic reduction reactions, establishing a catalytic mechanism will provide an important theoretical basis for the improvement of a more efficient combination of reducing agents and catalysts. Current computational studies reveal that the mechanisms of reactions are different due to the various combinations of electrophilic boron reducing agents and catalysts (transition-metal catalyst, main group metal catalysts, and metal-free frustrated Lewis pair). We discuss the role of boron reducing agents on the efficiency of reactions and believe that possible Lewis acid–base interaction between Bδ+, Mδ+ and Oδ, Hδ existing in boron reducing agent, unsaturated substances, and catalyst should be considered fully. A tentative outlook on future opportunities of this research field is proposed.

Graphical abstract: Theoretical insights on boron reducing agent for the reduction of carbonyl compounds

Article information

Article type
Perspective
Submitted
28 اپریل 2021
Accepted
11 اگست 2021
First published
11 اگست 2021

Phys. Chem. Chem. Phys., 2021,23, 19111-19119

Theoretical insights on boron reducing agent for the reduction of carbonyl compounds

N. Ma, Q. Xu and G. Zhang, Phys. Chem. Chem. Phys., 2021, 23, 19111 DOI: 10.1039/D1CP01857D

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements