103Rh and 13C NMR studies of Rh complexes used to Catalyze the Oxidative Carbonylation of Toluene to Toluic Acid
EMSL Project ID
29406
Abstract
Recent studies of the oxidative carbonylation of toluene to toluic acid have identified a Rh-based complex capable of serving as a homogeneous catalyst. During the process, the active Rh(III) species is reduced to Rh(I). The objective of the proposed effort is to use 103Rh and 13C NMR in order to aid in characterization of the Rh complexes present in the catalytic cycle. A set of standard Rh complexes will be analyzed and compared to the Rh species contained in an actual reaction mixture. In addition, the chemical shifts observed for Rh complexes with different ligands will be analyzed for information regarding the electronics of the Rh complex.
Project Details
Project type
Limited Scope
Start Date
2008-07-23
End Date
2008-09-22
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Zakzeski J, SD Burton, A Behn, MP Head-Gordon, and AT Bell. 2009. "Spectroscopic Investigation of the Species Involved in the Rhodium-Catalyzed Oxidative Carbonylation of Toluene to Toluic Acid." Physical Chemistry Chemical Physics. PCCP 11(42):9903-9911. doi:10.1039/b906883j.