Journal
DALTON TRANSACTIONS
Volume 47, Issue 29, Pages 9897-9902Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8dt02214c
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Funding
- Ministry of Education, Culture, Sports, Science, and Technology of Japan (MEXT)
- JSPS
- Russian Science Foundation [16-13-10155, 15-13-10022]
- Russian Science Foundation [18-13-17000] Funding Source: Russian Science Foundation
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The reaction between bis(benzene) chromium(0), Cr-0(C6H6)(2), and [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazole (abbreviated as TDTD) formed single crystals of the 1 : 1 salt, [Cr-I(C6H6)(2)]+[TDTD](-). The crystal structure of [Cr(C6H6)(2)][TDTD] belongs to the monoclinic P2(1)/c space group, and involves a CdSO4-type network (or quartz dual net), which is formed by CH center dot center dot center dot N hydrogen bonds between [Cr(C6H6)(2)](+) (S = 1/2) and [TDTD](-)( S = 1/2). In addition to this network, the two components form an alternating chain crystal with a pi-pi overlap along the [110] and [1 (1) over bar 0] directions. The theoretical calculations for the pairwise intermolecular magnetic exchange interactions in [Cr(C6H6)(2)][TDTD] reveal the presence of 3D interactions, ranging from an antiferromagnetic interaction of -8.96 cm(-1) to a ferromagnetic one of 1.70 cm(-1). The temperature dependence of the paramagnetic susceptibility chi(p) indicates the dominance of an antiferromagnetic interaction with a negative Weiss constant of -4.8 K and a magnetic ordering at 8 K, which can be characterized in terms of weak ferromagnetism.
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