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Issue 29, 2018
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3D molecular network and magnetic ordering, formed by multi-dentate magnetic couplers, bis(benzene)chromium(i) and [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazolidyl

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Abstract

The reaction between bis(benzene)chromium(0), Cr0(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, [CrI(C6H6)2]+[TDTD]. The crystal structure of [Cr(C6H6)2][TDTD] belongs to the monoclinic P21/c space group, and involves a CdSO4-type network (or quartz dual net), which is formed by CH⋯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 π–π overlap along the [110] and [1[1 with combining macron]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 χp 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.

Graphical abstract: 3D molecular network and magnetic ordering, formed by multi-dentate magnetic couplers, bis(benzene)chromium(i) and [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazolidyl

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Article information


Submitted
31 May 2018
Accepted
30 Jun 2018
First published
02 Jul 2018

Dalton Trans., 2018,47, 9897-9902
Article type
Paper

3D molecular network and magnetic ordering, formed by multi-dentate magnetic couplers, bis(benzene)chromium(I) and [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazolidyl

Y. Shuku, Y. Hirai, N. A. Semenov, E. Kadilenko, N. P. Gritsan, A. V. Zibarev, O. A. Rakitin and K. Awaga, Dalton Trans., 2018, 47, 9897
DOI: 10.1039/C8DT02214C

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