화학공학소재연구정보센터
Journal of the American Chemical Society, Vol.129, No.4, 952-959, 2007
Synthesis, structure, and magnetic properties of an antiferromagnetic spin-ladder complex: Bis(2,3-dimethylpyridinium) tetrabromocuprate
The complex (2,3-dmpyH)(2)CuBr4 has been synthesized and its crystal packing determined by single-crystal X-ray diffraction (2,3-dmpyH = 2,3-dimethylpyridinium). The compound crystallizes in the triclinic space group $$($) over bar1. The crystal packing is characterized by the formation of a ladder structure for the CuBr4 anions showing short Br center dot center dot center dot Br contacts. The rungs of the ladder are formed via a crystallographic inversion center, while the rails are formed via unit cell translations. Variable temperature magnetic susceptibility measurements agree very well with the ladder model [J(rung) = -3.10 cm(-1) (-4.34 K) and J(rail) = -6.02 cm(-1) (-8.42 K)]. The assignment as a magnetic ladder is confirmed by first principles bottom-up theoretical calculations which conclude that J(rung) = -3.49 cm(-1) (-4.89 K) and J(rail) = -7.79 cm(-1) (-10.9 K), in very good agreement with the experimental values. They also support the absence of additional significant magnetic exchange within the crystals. Thus, (2,3-dmpyH)(2)CuBr4 represents the second reported example of a weak-exchange limit magnetic ladder (that is, one in which the exchange along the rail is stronger than that across the rung).