TY - JOUR
T1 - Three new nickel(III) compounds based on 2-thioxo-1,3-dithiole-4,5- dithiolate
T2 - Syntheses, structures, magnetic properties and theoretical analyses
AU - Liu, Guang Xiang
AU - Yang, Hao
AU - Guo, Wei
AU - Liu, Ying
AU - Huang, Rong Yi
AU - Nishihara, Sadafumi
AU - Ren, Xiao Ming
PY - 2010/10/14
Y1 - 2010/10/14
N2 - 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).
AB - 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).
KW - Crystal structure
KW - DFT
KW - Magnetism
KW - Pyridinium cation
UR - http://www.scopus.com/inward/record.url?scp=77957271807&partnerID=8YFLogxK
U2 - 10.1016/j.poly.2010.07.018
DO - 10.1016/j.poly.2010.07.018
M3 - 文章
AN - SCOPUS:77957271807
SN - 0277-5387
VL - 29
SP - 2916
EP - 2923
JO - Polyhedron
JF - Polyhedron
IS - 15
ER -