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Creators/Authors contains: "Veis, Libor"

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  1. ; ; ; ; ; ; ; ; ; ; et al (, Chem)
    Molecular π-magnets based on single organic molecules have attracted increasing attention for their potential applications in optoelectronics and spintronics. Global aromaticity in conjugated macrocyclic polyradicaloids is still an open question that has only been tackled in molecules with an even number of electrons. Here, we report the on-surface synthesis of a cyclopenta-ringfused oligo(m-phenylene) macrocycle, 9MC, with an odd number of electrons. The generated polyradicaloid undergoes a surface-induced distortion to a D3h symmetry with a fully delocalized doublet ground state. Interestingly, 9MC exhibits two aromatic annulene-within-an-annulene (AWA) ring currents in the inner and outer rings. 
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  2. ; ; ; ; (, Journal of Chemical Theory and Computation)