NMR Relaxation and ESR Lineshape of Anisotropically Rotating Paramagnetic Molecules

TL;DRAbstract

The role of anisotropic rotation for electron spin resonance lineshape and nuclear magnetic relaxation dispersion proles for paramagnetic molecules with electron spin quantum number S 1 is discussed. The ESR spectra and nuclear magnetic relaxation dispersion proles are calculated by means of an approach based on the stochastic Liouville equation and referred to in the literature as Swedish slow motion theory. This description is valid for arbitrary motional conditions and interaction strengths. Molecular tumbling inuences the ESR spectra by modulating zero eld splitting interactions. The nuclear spin relaxation is aected by the rotational motion in a twofold way: via the electron spin dynamics and as a direct source of modulations of the electron-nuclear dipoledipole interactions. For coinciding principal axes systems of the permanent (residual, static) zero eld splitting and rotational tensors the ESR lineshape is not aected by rotational anisotropy. Rotational anisotropy is important

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