Estimation of Magnetic Interactions and Magnetic Structures in Charge-transfer Salts Based on [Cr(isoq)2(NCS)4]〔-〕 (isoq = Isoquinoline)

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  • Estimation of Magnetic Interactions and Magnetic Structures in Charge-transfer Salts Based on [Cr(isoq)2(NCS)4]- (isoq = Isoquinoline)
  • Estimation of Magnetic Interactions and Magnetic Structures in Charge-transfer Salts Based on [Cr(isoq)<sub>2</sub>(NCS)<sub>4</sub>]<sup>-</sup>(isoq = Isoquinoline)

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Magnetic interactions J in [Cr(isoq)2(NCS)4]−-based charge-transfer salts, (BDH-TTP)[Cr(isoq)2(NCS)4], (TMTTF)[Cr(isoq)2(NCS)4], and (BO)[Cr(isoq)2(NCS)4], are estimated on the basis of the extended Hückel molecular orbital calculations (BDH-TTP = 2,5-bis(1,3-dithiolan-2-ylidene)-1,3,4,6-tetrathiapentalene, BO = bis(ethylenedioxy)-tetrathiafulvalene, TMTTF = tetramethyltetrathiafulvalene, and isoq = isoquinoline). From this, experimental magnetic properties are discussed, and the magnetic structures are determined. (BDH-TTP)[Cr(isoq)2(NCS)4] is composed of two-dimensional array of antiferromagnetically coupled ferrimagnetic chains. These two-dimensional arrays, however, have net magnetic moment perpendicular to the sheets and give rise to weak ferromagnetism. (TMTTF)[Cr(isoq)2(NCS)4] and (BO)[Cr(isoq)2(NCS)4] have similar “body-centered” molecular arrangement. The TMTTF salt has considerable πd-interaction in two directions, and this compound actually shows a magnetic transition. The BO salt has large πd-interaction only in one direction, but the frustrating dd- and ππ-interactions are considerably large. Consequently, this compound does not exhibit a magnetic transition.

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