Determination of the rotational diffusion tensor of porphycene by ~(13)c and ~1H spin relaxation methods

摘要

The longitudinal ~(13)C and ~1H relaxation rates were determined in porphycene in CD_2Cl_2 solution. These data, augmented by ~(13)C{~1H} NOE enhancements were numerically analyzed to evaluate the rotational diffusion tensor of the molecule and the vibrational correction for the one-bond ~(13)C-~1H dipolar couplings. The ~(13)C and ~1H relaxation data seem to be consistent with each other, and the emerging picture of the rotational dynamics of porphycene compares well with the results that can be found in the literature.