Observation of metal ion dependent packing structures and magnetic behaviors of metal-bis-1, 2-dithiolene complexes.
Observation of metal ion dependent packing structures and magnetic behaviors of metal-bis-1, 2-dithiolene complexes.
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DOI：
10.1039/c1dt11477h
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发表时间：
2012-03
影响因子：
4
通讯作者：
Wen-bo Pei;Jian-sheng Wu;X. Ren;Zheng-Fang Tian;Jingli Xie
中科院分区：
文献类型：
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作者：
Wen-bo Pei;Jian-sheng Wu;X. Ren;Zheng-Fang Tian;Jingli Xie
对[M（mnt）（2）]（-）与1-（4 ′-溴-2 ′-氟苄基）-4-氨基吡啶（1-BrFBz-4-NH（2）Py（+））形成的两个S = 1/2自旋链配合物的晶体结构和磁性进行了实验和理论研究。1-BrFBz-4-NH（2）Py（+）阳离子在1和2中表现出不同的分子构象和排列;[M（mnt）（2）]（-）阴离子在1中形成规则堆叠，而它们在2中形成不规则堆叠。此外，[M（mnt）（2）]（-）阴离子和阳离子之间的分子间相互作用在1和2的晶体中也彼此不同。配合物1显示出低维反铁磁耦合自旋系统的磁性特征，在7 K附近具有自旋-Peierls型转变，配合物2在5-300 K温度范围内表现出抗磁性。理论分析基于[Pt（mnt）（2）]（-）和[Pd（mnt）（2）]（-）阴离子的电荷密度分布和阴离子自旋链内的磁交换常数的计算，讨论了1和2晶体中不同的分子排列和1和2之间不同的磁性行为。
The crystal structures and magnetic properties were investigated experimentally and theoretically for two S = ½ spin chain complexes, which consist of [M(mnt)(2)](-) (M = Pt for 1 or Pd for 2) with 1-(4'-bromo-2'-flurobenzyl)-4-aminopyridinium (1-BrFBz-4-NH(2)Py(+)). The 1-BrFBz-4-NH(2)Py(+) cations exhibit different molecular conformations and arrangements in 1 and 2; the [M(mnt)(2)](-) anions form regular stacks in 1, whereas they form irregular stacks in 2. In addition, the intermolecular interactions between the [M(mnt)(2)](-) anions and cations are also different from each other in the crystals of 1 and 2. Complex 1 shows the magnetic characteristics of a low-dimensional antiferromagnetic coupling spin system with a spin-Peierls-type transition around 7 K, and complex 2 exhibits diamagnetism over the temperature range of 5-300 K. Theoretical analyses, based on the calculations for the charge density distributions of [Pt(mnt)(2)](-) and [Pd(mnt)(2)](-) anions and the magnetic exchange constants within the anion spin chains, addressed the diverse molecular alignments in the crystals of 1 and 2 and distinct magnetic behaviors between 1 and 2.