Multipurpose Broadband NMR Inversion Sequences

J Phys Chem A. 2023 Jun 29;127(25):5511-5519. doi: 10.1021/acs.jpca.3c02445. Epub 2023 Jun 15.

Abstract

Solution-state 2D correlation experiments increase signal-to-noise, provide improved resolution, and inform about molecular connectivity. NMR experiments are compromised when the nuclei have broad chemical shift ranges that exceed the bandwidth of the experiment. Spectra acquired under these conditions are unphasable and artifact-prone, and peaks may disappear from the spectrum altogether. Existing remedies provide usable spectra only in specific experimental contexts. Here, we introduce a general broadband strategy that leads to a library of high performing NMR experiments. We achieve arbitrary and independent evolution of NMR interactions by only changing delays in our pulse block, letting the block replace inversion elements in any NMR experiment. The experiments improve the experimental bandwidth for both nuclei by an order of magnitude over conventional sequences, covering chemical shift ranges of most molecules, even at ultrahigh field. This library enables robust spectroscopy of molecules such as perfluorinated oils (19F{13C}) and fluorophosphorous compounds in battery electrolytes (19F{31P}).