Jump to main content
Jump to site search


Theoretical investigation of the impact of ligands on the regiodivergent Rh-catalyzed hydrothiolation of allyl amines

Author affiliations

Abstract

The reaction mechanisms of the Rh-catalyzed regiodivergent hydrothiolation of allyl amines have been theoretically investigated with the aid of density functional theory (DFT) calculations. The impact of ligands on the regioselectivity was rationalized. The origin of the regioselectivity involved in these reactions was probed by investigating the electronic and steric effects. The regioselectivity is derived from the stability of related intermediates. Among them, the steric effect plays an important role in controlling the regioselectivity. The origin of the regioselectivity could also be interpreted through the electronic effect on the corresponding transition states.

Graphical abstract: Theoretical investigation of the impact of ligands on the regiodivergent Rh-catalyzed hydrothiolation of allyl amines

Back to tab navigation

Supplementary files

Publication details

The article was received on 07 Aug 2017, accepted on 21 Nov 2017 and first published on 22 Nov 2017


Article type: Paper
DOI: 10.1039/C7DT02909H
Citation: Dalton Trans., 2018, Advance Article
  •   Request permissions

    Theoretical investigation of the impact of ligands on the regiodivergent Rh-catalyzed hydrothiolation of allyl amines

    L. Han, Y. Li and T. Liu, Dalton Trans., 2018, Advance Article , DOI: 10.1039/C7DT02909H

Search articles by author

Spotlight

Advertisements