Covalent attachment of a rhenium bipyridyl CO2 reduction catalyst to Rutile TiO2

Chantelle L Anfuso; Robert C Snoeberger 3rd; Allen M Ricks; Weimin Liu; Dequan Xiao; Victor S Batista; Tianquan Lian

doi:10.1021/ja2013664

Covalent attachment of a rhenium bipyridyl CO2 reduction catalyst to Rutile TiO2

J Am Chem Soc. 2011 May 11;133(18):6922-5. doi: 10.1021/ja2013664. Epub 2011 Apr 19.

Authors

Chantelle L Anfuso¹, Robert C Snoeberger 3rd, Allen M Ricks, Weimin Liu, Dequan Xiao, Victor S Batista, Tianquan Lian

Affiliation

¹ Department of Chemistry, Emory University, Atlanta, Georgia 30322, USA.

PMID: 21504161
DOI: 10.1021/ja2013664

Abstract

We have characterized the covalent binding of the CO(2) reduction electrocatalyst ReC0A (Re(CO)(3)Cl(dcbpy) (dcbpy =4,4'-dicarboxy-2,2'-bipyridine)) to the TiO(2) rutile (001) surface. The analysis based on sum frequency generation (SFG) spectroscopy and density functional theory (DFT) calculations indicates that ReC0A binds to TiO(2) through the carboxylate groups in bidentate or tridentate linkage motifs. The adsorbed complex has the dcbpy moiety nearly perpendicular to the TiO(2) surface and the Re exposed to the solution in a configuration suitable for catalysis.