Three new nickel(III) compounds based on 2-thioxo-1,3-dithiole-4,5-dithiolate: Syntheses,structures, magnetic properties and theoretical analyses |
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| Authors: | Guang-Xiang Liu Hao Yang Wei Guo Ying Liu Rong-Yi Huang Sadafumi Nishihara Xiao-Ming Ren |
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| Institution: | 1. Anhui Key Laboratory of Functional Coordination Compounds, School of Chemistry and Chemical Engineering, Anqing Normal University, Anqing 246003, PR China;2. Department of Physical Science, Graduate School of Science, Osaka Prefecture University, Sakai, Osaka 599-8531, Japan;3. Department of Applied Chemistry, Science College, Nanjing University of Technology, Nanjing 210009, PR China |
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| Abstract: | Three new molecular solids, (ADP)2Ni(dmit)2]2 (1), (BDP)Ni(dmit)2]·CH3COCH3 (2) and (CP)2Ni(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). |
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| Keywords: | Ni(dmit)2 Pyridinium cation Crystal structure Magnetism DFT |
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