Three new nickel(III) compounds based on 2-thioxo-1,3-dithiole-4,5- dithiolate: Syntheses, structures, magnetic properties and theoretical analyses

Guang Xiang Liu, Hao Yang, Wei Guo, Ying Liu, Rong Yi Huang, Sadafumi Nishihara, Xiao Ming Ren

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

Three new molecular solids, (ADP)2[Ni(dmit)2] 2 (1), (BDP)[Ni(dmit)2]·CH3COCH 3 (2) and (CP)2[Ni(dmit)2]3 (3) (dmit = 2-thioxo-1,3-dithiole-4,5-dithiolate, ADP = 1-(2,4-dichlorobenzyl)-3,5- dimethylpyridinium, BDP = 1-(3,4-dichlorobenzyl)-3,5-dimethylpyridinium and CP = 1-(2,4-dichlorobenzyl)-3-methylpyridinium) have been prepared and characterized by elemental analysis, IR and single-crystal X-ray diffraction. All the compounds formed stacking columns containing cations and anions. In the crystal structure of 1, both ADP cations and [Ni(dmit)2] anions were found to form stacked dimers, and these dimers piled up alternately in columns. In 2, the anions of [Ni(dmit)2] anions stack into dimers, which further construct into a 1D zig-zag chain through lateral S⋯S interactions. Compound 3 shows stacks built from trimers of Ni(dmit)2 units, which further construct into 3D network structure through short S⋯S interactions, S⋯Cl interactions and C-H⋯S hydrogen bonds. Magnetic susceptibility measurements for 1-3 in the temperature range 2-300 K show that the overall magnetic behavior indicates the presence of antiferromagnetic interaction, while 3 exhibits an activated magnetic behavior in the high-temperature region (HT) together with a Curie tail in the low-temperature region (LT).

Original languageEnglish
Pages (from-to)2916-2923
Number of pages8
JournalPolyhedron
Volume29
Issue number15
DOIs
StatePublished - 14 Oct 2010

Keywords

  • Crystal structure
  • DFT
  • Magnetism
  • Pyridinium cation

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