Journal of Physical Chemistry A, Vol.115, No.31, 8604-8607, 2011
Determination of the Rotational Diffusion Tensor of Porphycene by C-13 and H-1 Spin Relaxation Methods
The longitudinal C-13 and H-1 relaxation rates were determined in porphycene in CD2Cl2 solution. These data, augmented by (13)c{H-1} NOE enhancements were numerically analyzed to evaluate the rotational diffusion tensor of the molecule and the vibrational correction for the one-bond C-13-H-1 dipolar couplings. The C-13 and H-1 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.