Paramagnetic Properties of [An(NO)] Complexes (An = U, Np, Pu) Probed by NMR Spectroscopy and Quantum Chemical Calculations.

Actinide +IV complexes with six nitrates [An(NO)] (An = Th, U, Np, and Pu) have been studied by N and O NMR spectroscopy in solution and first-principles calculations. Magnetic susceptibilities were evaluated experimentally using the Evans method and are in good agreement with the ab initio values. The evolution in the series of the crystal field parameters deduced from ab initio calculations is discussed.