A Novel Bis(trans-thiocyanate)iron(II) Spin-Transition Molecular Material with Bidentate Triaryltriazole Ligands and Its Bis(cis-thiocyanate)iron(II) High-Spin Isomer
A Novel Bis(trans-thiocyanate)iron(II) Spin-Transition Molecular Material with Bidentate Triaryltriazole Ligands and Its Bis(cis-thiocyanate)iron(II) High-Spin Isomer
复制标题
DOI：
10.1021/cm010688u
复制
发表时间：
2002-01
影响因子：
8.6
通讯作者：
Dunru Zhu;Yan Xu;Zhi Yu;Zijian Guo;Haina Sang;Andrew T Liu;X. You
中科院分区：
文献类型：
--
作者：
Dunru Zhu;Yan Xu;Zhi Yu;Zijian Guo;Haina Sang;Andrew T Liu;X. You
合成了两个新的配合物trans-[Fe（MBPT）2（NCS）2]（1）和cis-[Fe（mMBPT）2（NCS）2]（2），并在293 K下通过单晶X-射线衍射对其结构进行了表征。配合物1和2均为同分异构体，配合物1属于三斜晶系，空间群P1，Z = 1，a = 9.120（3）A，B = 9.2563（18）A，c = 11.576（2）A，α = 76.256（15）°，β = 76.405（18）°，γ = 84.983（19）°，V = 922.1（4）A3，而在单斜空间群C2/c中为2，Z = 4，a = 21.851（3）A，B = 13.4113（15）A，c = 16.859（3）A，β = 128.153（9）°，V = 3885.0（9）A3。这两种配合物具有类似的假八面体[FeN 6]核心与NCS-基团在反式排列1，但顺式2。变温磁化率和红外光谱测量表明，1显示了一个突然的高自旋Particlelow自旋（HS ParticleLS）转变，中心在231 K附近的T1/2，而2在所观察到的温度范围内保持在高自旋状态。
Two novel complexes trans-[Fe(MBPT)2(NCS)2] (1) and cis-[Fe(mMBPT)2(NCS)2] (2) have been synthesized and their structure characterized at 293 K by single-crystal X-ray crystallography [MBPT (or mMBPT) = 4-p(or m)-methylphenyl-3,5-bis(pyridin-2-yl)-1,2,4-triazole]. Complexes 1 and 2 are isomers, and 1 crystallizes in the triclinic space group P1 with Z = 1, a = 9.120(3) A, b = 9.2563(18) A, c = 11.576(2) A, α = 76.256(15)°, β = 76.405(18)°, γ = 84.983(19)°, and V = 922.1(4) A3 in contrast to 2 in the monoclinic space group C2/c with Z = 4, a = 21.851(3) A, b = 13.4113(15) A, c = 16.859(3) A, β = 128.153(9)°, and V = 3885.0(9) A3. Both complexes have a similar pseudo-octahedral [FeN6] core with the NCS- groups in the trans arrangement in 1 but cis in 2. Variable-temperature magnetic susceptibility and IR spectral measurements reveal that 1 shows an abrupt high-spin ↔ low-spin (HS ↔ LS) transition centered at T1/2 around 231 K, in contrast to 2 staying in a high-spin state in the observed temperature range ...