Synthesis, Structure and Solid State Properties of Cyclohexanemethylamine Substituted Phenalenyl Based Molecular Conductor

Pradip Bag, Mikhail E. Itkis, Sushanta K. Pal, Elena Bekyarova, Bruno Donnadieu, Robert C. Haddon
2012 Crystals  
We report the preparation, crystallization and solid state characterization of a cyclohexanemethylamine substituted spirobiphenalenyl radical; in the solid state the compound is iso-structural with its dehydro-analog (benzylamine-substitued compound), and the molecules packed in a one-dimensional fashion that we refer to as a π-step stack. Neighboring molecules in the stack interact via the overlap of one pair of active (spin bearing) carbon atoms per phenalenyl unit. The magnetic
more » ... netic susceptibility measurement indicates that in the solid state the radical remains paramagnetic and the fraction of Curie spins is 0.75 per molecule. We use the analytical form of the Bonner-Fisher model for the S = 1/2 antiferromagnetic Heisenberg chain of isotropically interacting spins with intrachain spin coupling constant J = 6.3 cm −1 , to fit the experimentally observed paramagnetism [χ p (T)] in the temperature range 4-330 K. The measured room temperature conductivity (σ RT = 2.4 × 10 -3 S/cm) is comparable with that of the iso-structural benzyl radical, even though the calculated band dispersions are smaller than that of the unsaturated analog.
doi:10.3390/cryst2020446 fatcat:37zgtcgklfaunkf2tf7donedre