Structure and bonding in rhodium coordination compounds: a ¹⁰³Rh solid-state NMR and relativistic DFT study.

ABSTRACT: This study demonstrates the application of ¹⁰³Rh solid-state NMR (SSNMR) spectroscopy to inorganic and organometallic coordination compounds, in combination with relativistic density functional theory (DFT) calculations of ¹⁰³Rh chemical shift tensors and their analysis with natural bond orbital (NBO) and natural localized molecular orbital (NLMO) protocols, to develop correlations between ¹⁰³Rh chemical shift tensors, molecular structure, and Rh-ligand bonding. ¹⁰³Rh is one of the least receptive NMR nuclides, and consequently, there are very few reports in the literature. We introduce robust ¹⁰³Rh SSNMR protocols for stationary samples, which use the broadband adiabatic inversion-cross polarization (BRAIN-CP) pulse sequence and wideb

SUBMITTER: Holmes ST 

PROVIDER: S-EPMC10848688 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature