Issue 29, 2014

Computational and experimental study on the electrocatalytic reduction of CO2 to CO by a new mononuclear ruthenium(ii) complex

Abstract

A new mononuclear ruthenium(II) complex, trans-[Ru(dmb)2(Cl)(EtOH)](PF6) (dmb = 4,4′-dimethyl-2,2′-bipyridine), has been prepared and characterized by elemental analysis, spectroscopic techniques and single crystal X-ray structure determination. The complex was studied as a precatalyst for the electrocatalytic reduction of CO2 to CO in an acetonitrile solution by cyclic voltammetry (CV). The catalytic mechanism was investigated by means of quantum chemical calculations to gain deeper insight into the process of CO2 reduction. The results suggest that the reaction proceeds in six steps initiating by the two sequential 1ē reductions at the dmb ligands followed by CO2 addition to give a metallocarboxylate intermediate. This intermediate undergoes further reduction and loses a CO molecule. The results reported in this paper are of great significance in providing theoretical insight into a class of electrocatalysts for reduction of CO2 to CO.

Graphical abstract: Computational and experimental study on the electrocatalytic reduction of CO2 to CO by a new mononuclear ruthenium(ii) complex

Supplementary files

Article information

Article type
Paper
Submitted
29 Mar 2014
Accepted
30 Apr 2014
First published
30 Apr 2014

Dalton Trans., 2014,43, 11317-11332

Computational and experimental study on the electrocatalytic reduction of CO2 to CO by a new mononuclear ruthenium(II) complex

F. H. Haghighi, H. Hadadzadeh, H. Farrokhpour, N. Serri, K. Abdi and H. Amiri Rudbari, Dalton Trans., 2014, 43, 11317 DOI: 10.1039/C4DT00932K

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