Abstract

A novel anion-radical salt, (Bbzim)(TCNQ)1.5·CH3CN (1), (where Bbzim = 1,3-bis(4-cyanobenzyl)-1H-imidazol-3-ium and TCNQ = 7,7,8,8-tetracyanoquinodimethane) has been fabricated and X-ray single crystal structural analyses. The structure analysis show there exist TCNQ−1 and TCNQ0 entries, which are in agreement with the IR spectra analysis of the compound. Two TCNQ (A) and one TCNQ (B) molecules stack into a triad, and the triads further develop into a column in a pattern ···ABA···ABA··· along a-axis. The temperature dependence of the magnetic susceptibility (2–300 K) for 1 exhibits spin gap of singlet–triplet feature, and the best fit gave the Δ/kB = 1236.5 K. A new anion-radical salt containing TCNQ was prepared, the results of the crystal structure determination shown the radical anions stack into column with triads, and there are two types of TCNQ entries, TCNQ−1 and TCNQ0. The temperature dependence of the magnetic susceptibility for this compound exhibits spin gap of singlet–triplet feature.

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