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Charge Transportation in Zn(II)/Cd(II)-Based 2D MOFs of 5-Nitro-isophthalate with Isonicotinic Hydrazide
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2021-07-27 , DOI: 10.1021/acs.cgd.1c00018 Kaushik Naskar 1 , Arka Dey 2, 3 , Suvendu Maity 1 , Partha Pratim Ray 2 , Chittaranjan Sinha 1
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2021-07-27 , DOI: 10.1021/acs.cgd.1c00018 Kaushik Naskar 1 , Arka Dey 2, 3 , Suvendu Maity 1 , Partha Pratim Ray 2 , Chittaranjan Sinha 1
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Two new families of the electro-conductive two-dimensional (2D) metal organic framework (2D MOFs) of Zn(II)/Cd(II) with the coordination of H25-NIP (5-nitro-isophthalic acid) and INH (isonicotinic hydrazide) are isolated and characterized by different physicochemical techniques. However, crystalline porous structures of {[Zn(5-NIP)2(INH)2]·(DMF)(H2O)2}n (1) and {[Cd(5-NIP)2(INH)2]·(DMF)2(H2O)]}n (2) are analyzed using single-crystal X-ray diffraction techniques. Fascinatingly, the secondary building units (SBUs) of both 1 and 2 are supramolecularly aggregated arrays with interactions like hydrogen bonding and π···π. Moreover, the geometrical and topological analysis of 1 and 2 has been elucidated by the TOPOSPRO program package and it symbolizes dia-topology with 4-c uninodal net for 1 whereas, sql-topology with a 4-c uninodal net was exhibited for 2. Both these MOFs exhibit significant electrical conductivity with a Schottky diode nature. Out of them, 2 promotes the higher charge mobility than 1, which may be due to the larger cation size (Cd(II) (2), 0.97 Å > Zn(II) (1), 0.74 Å) and stronger π–π stacking (distance, 3.511(3) Å (2) and 3.714(4) Å (1)). Furthermore, the analyzed data of transit time, effective carrier mobility, diffusion length, and carrier concentration reveal that 2 is transporting charge more efficiently than 1.
中文翻译：
5-硝基间苯二甲酸酯与异烟肼基 Zn(II)/Cd(II) 基二维 MOF 中的电荷传输
Zn(II)/Cd(II) 导电二维 (2D) 金属有机骨架 (2D MOF) 的两个新系列与 H 2 5-NIP（5-硝基间苯二甲酸）和 INH 的配位（异烟碱酰肼）通过不同的物理化学技术进行分离和表征。然而，{[Zn(5-NIP) 2 (INH) 2 ] · (DMF)(H 2 O) 2 } n ( 1 )和{[Cd(5-NIP) 2 (INH) 2 ]的结晶多孔结构· (DMF) 2 (H 2 O)]} n ( 2) 使用单晶 X 射线衍射技术进行分析。令人着迷的是，1和2的二级构建单元 (SBU)都是超分子聚合阵列，具有氢键和 π … π等相互作用。此外，TOPOSPRO程序包阐明了1和2的几何和拓扑分析，它象征着1的4-c单节点网的dia-topology，而2展示了带有4-c单节点网的sql-topology 。这两种 MOF 都表现出具有肖特基二极管性质的显着导电性。其中，2促进了比1更高的电荷迁移率, 这可能是由于较大的阳离子尺寸 (Cd(II) ( 2 ), 0.97 Å > Zn(II) ( 1 ), 0.74 Å) 和更强的 π–π 堆积（距离，3.511(3) Å ( 2 )和 3.714(4) Å ( 1 ))。此外，传输时间、有效载流子迁移率、扩散长度和载流子浓度的分析数据表明，2比1更有效地传输电荷。
更新日期：2021-09-01
中文翻译：
5-硝基间苯二甲酸酯与异烟肼基 Zn(II)/Cd(II) 基二维 MOF 中的电荷传输
Zn(II)/Cd(II) 导电二维 (2D) 金属有机骨架 (2D MOF) 的两个新系列与 H 2 5-NIP（5-硝基间苯二甲酸）和 INH 的配位（异烟碱酰肼）通过不同的物理化学技术进行分离和表征。然而，{[Zn(5-NIP) 2 (INH) 2 ] · (DMF)(H 2 O) 2 } n ( 1 )和{[Cd(5-NIP) 2 (INH) 2 ]的结晶多孔结构· (DMF) 2 (H 2 O)]} n ( 2) 使用单晶 X 射线衍射技术进行分析。令人着迷的是，1和2的二级构建单元 (SBU)都是超分子聚合阵列，具有氢键和 π … π等相互作用。此外，TOPOSPRO程序包阐明了1和2的几何和拓扑分析，它象征着1的4-c单节点网的dia-topology，而2展示了带有4-c单节点网的sql-topology 。这两种 MOF 都表现出具有肖特基二极管性质的显着导电性。其中，2促进了比1更高的电荷迁移率, 这可能是由于较大的阳离子尺寸 (Cd(II) ( 2 ), 0.97 Å > Zn(II) ( 1 ), 0.74 Å) 和更强的 π–π 堆积（距离，3.511(3) Å ( 2 )和 3.714(4) Å ( 1 ))。此外，传输时间、有效载流子迁移率、扩散长度和载流子浓度的分析数据表明，2比1更有效地传输电荷。
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