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

Crystals

Pradip Bag¹  Mikhail E. Itkis¹  Sushanta K. Pal¹  Elena Bekyarova¹  Bruno Donnadieu¹ 

[1] Department of Chemistry, University of California, Riverside, CA 92521-0403, USA;

关键词: molecular conductors;    phenalenyl;    spirobis-phenalenyl boron;    neutral radical;    1D conducting pathways;   

DOI  :  10.3390/cryst2020446

来源: mdpi

【 摘 要 】

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 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.

【 授权许可】

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