Electron Paramagnetic Resonance Investigation of Endohedral Fullerenes N@C 60 and N@C 70 in a Liquid Crystal

Endohedral fullerenes N@C 60 and N@C 70 were dissolved in the liquid crystal 4-methoxybenzylidene-4′- n-butylaniline (MBBA) and investigated by electron paramagnetic resonance. In both cases well resolved EPR spectra give proof for molecular orientation in the nematic mesophase. Spectral features are dominated by a nonvanishing zero-field interaction, indicating a deviation from spherical spin density distribution at the encased nitrogen atom. In N@C 70, a maximum order parameter O 33=0.18(3), correlated with the long axis of the cage, and a zero-field-splitting parameter D=−2.6(4) MHz were determined. A persistent zero-field splitting is also observed in C 60 via the quartet spin of the encapsulated nitrogen, although no assignment of the director with respect to the molecular frame is possible. The observed line splitting is indicative of pseudo orientation of the rapidly rotating cage in this case.