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- W2027113994 abstract "Abstract Two crystalline forms of TDAC-TCNQ obtained under different crystallization conditions are both stable at room temperature. The diamagnetic yellow form belongs to the triclinic space group P, with unit cell parameters a = 7.030(2), b = 8.791(2), c = 17.306(6) Å, α = 94.23(3)°, β = 101.24(3)°, γ = 90.95(2)°, V = 1045.7(6) Å3 and Z = 1 (Rw = 0.073); it also has a long [sgrave]-bond between TCNQ− in adjacent stacks, but shows no thermally activated triplets. The paramagnetic black form belongs to the monoclinic space group P2l/c, with unit cell parameters a = 17.536(4), b = 7.272(2), c = 17.776(4) Å, β = 113.36(2)°, V = 2081.2(9) Å3 and Z = 4 (Rw = 0.058); it corresponds to a mixed stack of closed shell TDAC+ ions and TCNQ− ion-radicals. Heating the yellow crystal above 79 ± 3°C converts it to the black form. Subsequent cooling below -50 ± 10°C regains the yellow form with paramagnetic TCNQ− defects. The hysteresis is interpreted in terms of a high activation barrier for the large (>2 Å) molecular motion of each TCNQ−, in contrast to the unactivated, small amplitude (<0.2 Å) motions associated with spin-Peierls transitions." @default.
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- W2027113994 date "1987-09-01" @default.
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- W2027113994 title "Diamagnetic to Paramagnetic Transition in Trisdimethylaminocyclopropenium Tetracyanoquinodimethanide (TDAC-TCNQ)" @default.
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