193Ir nuclear forward scattering of an iridium(I) complex

Synchrotron based nuclear forward scattering (NFS) experiments using the( 193)Ir nucleus have been performed for the first time on a dinuclear iridium(I) complex, [IrCl(COD)](2) with COD being cycloocta-1,5-diene. This complex serves as a catalyst for hydrogenation and other chemical reactions. Both, the obtained absolute values of the isomer shift delta = 0.87mm s(-1) and the quadrupole splitting Delta E-Q = 3.82mm s(-1) agree within the experimental error with values obtained via conventional Ir-193 Mossbauer spectroscopy reported earlier (Gal M. et al. J. Radioanal. Nucl. Chem., 260 (1) 2004, 133). In addition, we present density functional theory (DFT) calculations of the complex yielding its electronic structure and related Mossbauer parameters.

Automated summary

The synchrotron based nuclear forward scattering (NFS) experiments were performed for the first time on a dinuclear iridium(I) complex, which can serve as a catalyst for hydrogenation and other chemical reactions. The experimental results were in good agreement with the conventional Ir-193 Mossbauer spectroscopy. In addition, the electronic structure and related Mossbauer parameters of the complex were calculated using density functional theory (DFT).