The 103Rh NMR spectroscopy and relaxometry of the rhodium formate paddlewheel 
complex

Harbor-Collins, Harry; Sabba, Mohamed; Moustafa, Gamal; Legrady, Bonifac; Soundararajan, Murari; Leutzsch, Markus; Levitt, Malcolm H.

doi:10.1063/5.0165830

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The ¹⁰³Rh NMR spectroscopy and relaxometry of the rhodium formate paddlewheel complex

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Leutzsch, Markus
Service Department Farès (NMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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引用

Harbor-Collins, H., Sabba, M., Moustafa, G., Legrady, B., Soundararajan, M., Leutzsch, M., & Levitt, M. H. (2023). The ¹⁰³Rh NMR spectroscopy and relaxometry of the rhodium formate paddlewheel complex. The Journal of Chemical Physics, 159(10):. doi:10.1063/5.0165830.

引用: https://hdl.handle.net/21.11116/0000-000D-B2CE-2

要旨

The nuclear magnetic resonance (NMR) spectroscopy of spin-1/2 nuclei with low gyromagnetic ratio is challenging due to the low NMR signal strength. Methodology for the rapid acquisition of ¹⁰³Rh NMR parameters is demonstrated for the case of the rhodium formate “paddlewheel” complex Rh₂(HCO₂)₄⁠. A scheme is described for enhancing the ¹⁰³Rh signal strength by polarization transfer from ¹H nuclei, which also greatly reduces the interference from ringing artifacts, a common hurdle for the direct observation of low-γ nuclei. The ¹⁰³Rh relaxation time constants T₁ and T₂ are measured within 20 min by using ¹H-detected experiments. The field dependence of the ¹⁰³Rh T₁ is measured. The high-field relaxation is dominated by the chemical shift anisotropy mechanism. The ¹⁰³Rh shielding anisotropy is found to be very large: |Δσ| = 9900 ± 540 ppm. This estimate is compared with density functional theory calculations.