PE2PF6·2/3THF analysed by high resolution 13C-CP-MAS-NMR

We report high resolution 13C nuclear magnetic resonance measurements of the quasi-one dimensional organic conductor (PE)2PF6·2/3THF (PE = perylene, THF = tetrahydrofurane) including magic angle spinning and cross polarisation between 13C and 1H. In the spectrum there are found two types of different line groups in the metallic phase. The molecules of the conducting stack exhibit pairs of Knight shifted lines, having the same temperature dependence as the susceptibility of the conduction electrons, whereas the molecules which separate the conducting stacks from each other show only chemically shifted lines. Measurements with the gated decoupling technique allow to identify carbons bonded to protons. The complete line assignment is further controlled by calculated Knight shift positions from theoretical spin densities. A conclusive picture is thus obtained.