Resonating Valence Bond And Sigma-Charge Density Wave Phases In A Benzannulated Phenalenyl Radical
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY(2010)
Abstract
We report the preparation of the first benzannulated phenalenyl neutral radical conductor (18), and we show that the compound displays unprecedented solid state behavior: the structure is dominated by two sets of intermolecular interactions: (1) a T-chain structure with superimposed pi-overlap of the benzannulated phenalenyls along [0 0 1], and (2) an interchain overlap involving a pair of carbon atoms (C4) along [0 1 0]. The pi-chain-type stacking motif is reminiscent of previously reported phenalenyl radicals and the room temperature structure (space group P2/c) together with the conductivity of sigma(RT) = 0.03 S/cm and the Pauli-like magnetic susceptibility are best described by the resonating valence bond (RVB) model. The interchain interaction is unstable with respect to the formation of a a-charge density wave (sigma-CDW) involving pairs of C4 carbon atoms between adjacent radicals and this phase is characterized by the P2(1)/c space group which involves a doubling of the unit cell along the [0 1 0] direction. The RVB and CDW phases compete for structural occupancy throughout the whole temperature range (15-293 K) with the RVB phase predominating at 15 and 293 K and the sigma-CDW phase achieving a maximum structural occupancy of about 60% at 150 K where it produces clearly discernible effects on the magnetism and conductivity.
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Key words
magnetic susceptibility,room temperature
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