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. Issue 29 (12th July 2018)

• Record Type: Journal Article
• Authors: Shuku, Yoshiaki; Hirai, Yuta; Semenov, Nikolay A.; Kadilenko, Evgeny; Gritsan, Nina P.; Zibarev, Andrey V.; Rakitin, Oleg A.; Awaga, Kunio
• Is Part Of: Dalton transactions. Volume 47:Issue 29(2018)
• Page Start: 9897
• Page End: 9902
• Publication Date: 2018-07-12
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c8dt02214c
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : The bis(benzene)chromium(i ) salt of [1, 2, 5]thiadiazolo[3, 4- c ][1, 2, 5]thiadiazolyl radical-anion formed a 3D network structure and realized a magnetically ordered state below 8 K. Abstract : The reaction between bis(benzene)chromium(0), Cr 0 (C6 H6 )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 (C6 H6 )2 ] + [TDTD] − . The crystal structure of [Cr(C6 H6 )2 ][TDTD] belongs to the monoclinic P 21 / c space group, and involves a CdSO4 -type network (or quartz dual net), which is formed by CH⋯N hydrogen bonds between [Cr(C6 H6 )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 [11̄0] directions. The theoretical calculations for the pairwise intermolecular magnetic exchange interactions in [Cr(C6 H6 )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 χ 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.