Data_Sheet_1_Single Molecule Magnets of Co2 and Co2La MOFs Synthesized by New Schiff Base Ligand N,N′-bis(o-Vanillinidene) Ethylenediamine (o-VEDH2).PDF

Schiff base ligand N,N′-bis(o-vanillinidene) ethylenediamine (o-VEDH2) has been employed to synthesize new [CoIICoIV(o-VED)(OAc)2(μ2-OAc)(OMe)]•MeOH (1) and [Co2IV(o-VED)2(en)2(NCCH3)(OCH3)][La(NO3)6](NO3−)•2MeOH•MeCN•H2O (2) metal–organic frameworks (MOFs) that have interesting single molecule magnets (SMMs) property. The synthesized complexes are characterized by single crystal X-ray diffraction, fourier transform infrared spectroscopy (FTIR), UV-visible spectroscopy, and squid magnetic measurement. Single crystal X-ray data show that both complexes crystallize in the monoclinic crystal system with P21/c(14) and P21/n(14) space groups and generate unique MOF-like structures. Overall, both the metal centers of 1 form octahedral geometry with a butterfly core structure. Variable temperature (T) and field (H) solid-state direct-current (dc) and alternative current (ac) magnetic susceptibility measurements were performed on both the complexes over 1.8 to 300 K, which exhibited a ground state spins (S) of 4 and 5 of complexes 1 and 2, respectively. The AC out-phase and in-phase properties of complexes show SMMs. Other properties such as optical, sensing, and DNA-binding interactions were also investigated by the complexes. Complexes 1 and 2 have energy band gaps of 3.7 and 3.03 eV indicating semiconductor properties. Simultaneously, complex 1 was found to sense H2O2 with a rate constant (k) = 1.59 × 10−4 s−1, whereas complex 2 was found to bind with calf-thymus–DNA by intercalation mode with binding constant (Kb) of 1.22 × 105 M−1.

采用 Schiff 基配体 N,N′-双(对-香草醛亚甲基)乙二胺（o-VEDH2）合成了新型 [CoIICoIV(o-VED)(OAc)2(μ2-OAc)(OMe)]•MeOH（1）和 [Co2IV(o-VED)2(en)2(NCCH3)(OCH3)][La(NO3)6](NO3−)•2MeOH•MeCN•H2O（2）金属-有机框架（MOFs），这些框架表现出有趣的单分子磁体（SMMs）特性。所合成的配合物通过单晶X射线衍射、傅里叶变换红外光谱（FTIR）、紫外-可见光谱和巨磁阻磁测量进行了表征。单晶X射线数据显示，两种配合物均以单斜晶系结晶，具有 P21/c(14) 和 P21/n(14) 晶格群，并形成独特的MOF类结构。总体而言，配合物1的金属中心形成八面体几何结构，具有蝴蝶核结构。对配合物1和2在1.8至300 K的温度（T）和磁场（H）下进行了变温及直流（dc）和交流（ac）磁化率测量，结果显示复合物1和2的基态自旋（S）分别为4和5。复合物的交流失相和相干特性表明其具有SMMs特性。此外，复合物还研究了其他性质，如光学、传感和DNA结合相互作用。复合物1和2具有3.7和3.03 eV的能量带隙，表明其半导体特性。同时，复合物1被发现能够以速率常数（k）= 1.59 × 10−4 s−1检测H2O2，而复合物2则通过嵌入模式与牛胸腺DNA结合，结合常数（Kb）为1.22 × 105 M−1。