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

Yoshiaki Shuku, Yuta Hirai, Nikolay A. Semenov, Evgeny Kadilenko, Nina P. Gritsan, Andrey V. Zibarev, Oleg A. Rakitin, Kunio Awaga

Research output: Contribution to journalArticlepeer-review

15 Citations (Scopus)

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 [110] 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.

Original languageEnglish
Pages (from-to)9897-9902
Number of pages6
JournalDalton Transactions
Volume47
Issue number29
DOIs
Publication statusPublished - 7 Aug 2018

Keywords

  • HEAVY-ATOM RADICALS
  • THIAZYL RADICALS
  • ELECTRICAL-PROPERTIES
  • WEAK FERROMAGNETISM
  • CRYSTAL-STRUCTURES
  • HETEROSPIN S-1
  • COMPLEXES
  • SALTS
  • ANION
  • STATE

Fingerprint

Dive into the research topics of '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'. Together they form a unique fingerprint.

Cite this