当前位置: X-MOL 学术Inorg. Chem. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Cu(II)-Based Molecular Hexagons Forming Honeycomb-like Networks Exhibit High Electrical Conductivity
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2022-11-25 , DOI: 10.1021/acs.inorgchem.2c02975
Sanobar Naaz 1 , Pubali Das 2 , Samim Khan 1 , Basudeb Dutta 1 , Sourav Roy 3 , Antonio Frontera 4 , Partha Pratim Ray 2 , Mohammad Hedayetullah Mir 1
Affiliation  

Four new Cu(II)-based hexagonal complexes with the metallomacrocycle formulae [Cu6(5-nip)6(3-py)6(H2O)12] (1), [Cu6(5-nip)6(3-Clpy)6(H2O)12] (2), [Cu6(5-nip)6(3-Brpy)6(H2O)12] (3), and [Cu6(5-nip)6(3-Ipy)6(H2O)12] (4) have been synthesized using 5-nitroisophthalic acid (H25-nip) and pyridine (py)/3-halopyridine (3-Xpy; X = Cl, Br, and I) ligands. The structural features and supramolecular interactions of compounds 14 have been investigated using the single-crystal X-ray diffraction (SCXRD) technique. Interestingly, the hexagonal complexes undergo hydrogen bonding and π···π stacking interactions to form fascinating two-dimensional (2D) honeycomb-like structures. The synthesized complexes exhibit high electrical conductivity, arising from charge transport through space via π···π contacts. However, complexes containing 3-Brpy (3) and 3-Ipy (4) exhibit photosensitivity due to the presence of halogens with a larger size and lower ionization energy. The conductivity results are also in accordance with the theoretical prediction calculated by density functional theory (DFT) study.

中文翻译:

形成蜂窝状网络的基于 Cu(II) 的分子六边形表现出高导电性

四种新的基于 Cu(II) 的六方配合物,具有金属大环分子式 [Cu 6 (5-nip) 6 (3-py) 6 (H 2 O) 12 ] ( 1 ), [Cu 6 (5-nip) 6 ( 3-Clpy) 6 (H 2 O) 12 ] ( 2 ), [Cu 6 (5-nip) 6 (3-Brpy) 6 (H 2 O) 12 ] ( 3 ), 和 [Cu 6 (5-nip ) ) 6 (3-Ipy) 6 (H 2 O) 12 ] ( 4) 已使用 5-硝基间苯二甲酸 (H 2 5-nip) 和吡啶 (py)/3-卤代吡啶 (3-Xpy; X = Cl、Br 和 I) 配体合成。已经使用单晶 X 射线衍射 (SCXRD) 技术研究了化合物14的结构特征和超分子相互作用。有趣的是,六角形配合物经历氢键和 π···π 堆叠相互作用,形成迷人的二维 (2D) 蜂窝状结构。合成的复合物表现出高导电性,这是由于电荷通过 π···π 接触在空间传输而产生的。然而,含有 3-Brpy ( 3 ) 和 3-Ipy ( 4) 由于存在具有较大尺寸和较低电离能的卤素而表现出光敏性。电导率结果也与密度泛函理论 (DFT) 研究计算的理论预测一致。
更新日期:2022-11-25
down
wechat
bug