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Crystal structure, Hirshfeld surface analysis and photocatalytic activities of a cobalt(III) complex based on acid and alkaline mixed ligands
Transition Metal Chemistry ( IF 1.7 ) Pub Date : 2019-05-04 , DOI: 10.1007/s11243-019-00326-2
Da-Wei Wang , Si-Lin Yang , Chang-Fu Zhuang , Ying Wang , Zheng-Jun Shi

A novel Co(III) complex [Co(chda)(nta)] (1) (chda = trans-(1R,2R)-1,2-cyclohexanediamine, H3nta = nitrilotriacetic acid) was synthesized based on chda and H3nta ligands at room temperature. Complex 1 was structurally identified by single-crystal X-ray diffraction, elemental analysis, FT-IR and Raman spectrum. Complex 1 was connected by the intermolecular N–H···O hydrogen bonds to form a 2D supramolecular structure. The 3D Hirshfeld surface and 2D fingerprint plots were used to further study the intermolecular interactions of complex 1. The intermolecular O···H and H···H contacts were the most significant interactions in the crystal, which comprised 96.6% of the total Hirshfeld surface. In addition, complex 1 exhibited excellent photocatalytic activity for the removal of methylene blue under UV light. The possible photocatalytic mechanism and reaction kinetics were also discussed.

中文翻译:

基于酸碱混合配体的钴(III)配合物的晶体结构、Hirshfeld表面分析和光催化活性

基于 chda 和 H3nta 配体合成了一种新型 Co(III) 配合物 [Co(chda)(nta)] (1)(chda = trans-(1R,2R)-1,2-环己二胺,H3nta = 次氮基三乙酸)室内温度。通过单晶 X 射线衍射、元素分析、FT-IR 和拉曼光谱对配合物 1 进行了结构鉴定。配合物1通过分子间N-H···O氢键连接形成二维超分子结构。3D Hirshfeld表面和2D指纹图用于进一步研究配合物1的分子间相互作用。分子间O…H和H…H接触是晶体中最显着的相互作用,占总数的96.6%赫什菲尔德表面。此外,配合物1在紫外光下表现出优异的光催化去除亚甲基蓝的活性。
更新日期:2019-05-04
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