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

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 Full article

Journal

Dalton Transactions
ISSN: 1477-9226 , E-ISSN: 1477-9234

Output data

Year: 2018, Volume: 47, Number: 29, Pages: 9897-9902 Pages count : 6 DOI: 10.1039/c8dt02214c

Authors

Shuku Yoshiaki ^1,2 , Hirai Yuta ^1,2 , Semenov Nikolay A. ³ , Kadilenko Evgeny ^4,5 , Gritsan Nina P. ^4,5 , Zibarev Andrey V. ^3,5 , Rakitin Oleg A. ⁶ , Awaga Kunio ^1,2

Affiliations

1	(Данные Web of science) Nagoya Univ, Dept Chem, Chikusa Ku, Furo Cho, Nagoya, Aichi 4648602, Japan
2	(Данные Web of science) Nagoya Univ, IRCCS, Chikusa Ku, Furo Cho, Nagoya, Aichi 4648602, Japan
3	(Данные Web of science) Russian Acad Sci, Siberian Branch, Inst Organ Chem, Novosibirsk 630090, Russia
4	(Данные Web of science) Russian Acad Sci, Siberian Branch, Inst Chem Kinet & Combust, Novosibirsk 630090, Russia
5	(Данные Web of science) Novosibirsk State Univ, Dept Phys, Novosibirsk 630090, Russia
6	(Данные Web of science) Russian Acad Sci, ND Zelinsky Inst Organ Chem, Moscow 119991, Russia

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.

Shuku Y. , Hirai Y. , Semenov N.A. , Kadilenko E. , Gritsan N.P. , Zibarev A.V. , Rakitin O.A. , Awaga K.
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
Dalton Transactions. 2018. V.47. N29. P.9897-9902. DOI: 10.1039/c8dt02214c WOS Scopus РИНЦ

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