Zero-Field NMR J-Spectroscopy of Organophosphorus Compounds

Organophosphorus compounds are a wide and diverse class of chemicals playing a crucial role in living organisms. This aspect has been often investigated using nuclear magnetic resonance (NMR), which provides information about molecular structure and function. In this paper, we report the results of theoretical and experimental studies on basic organophosphorus compounds using zero-field NMR, where spin dynamics are investigated in the absence of a magnetic field with the dominant heteronuclear J-coupling. We demonstrate that the zero-field NMR enables distinguishing the chemicals owing to their unique electronic environment even though their spin systems have the same alphabetic designation. Such information can be obtained just in a single measurement, while amplitudes and widths of observed low-field NMR resonances enable the study of processes affecting spin dynamics. An excellent agreement between simulations and measurements of the spectra, particularly in the largest frequency -couplings range ever reported in zero-field NMR, is demonstrated.

Automated summary

By utilizing zero-field NMR, it is possible to distinguish chemicals based on their unique electronic environment even when their spin systems share the same alphabetic designation. The amplitudes and widths of observed low-field NMR resonances can provide insights into processes affecting spin dynamics. The excellent agreement between simulations and measurements of the spectra, particularly in the largest frequency-couplings range ever reported in zero-field NMR, is demonstrated.