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使用基于六氮杂菲的配体对配位网络结晶进行磁性和热力学控制。

Magnetic and thermodynamic control of coordination network crystallization using a hexaazaphenalene-based ligand.

作者信息

Jiang Qiao, Suzuki Hiroaki, Wada Yuki, Wang Xiaohan, Murakami Yoichi, Matsumoto Takaya, Usov Pavel M, Kawano Masaki

机构信息

Department of Chemistry, School of Science, Tokyo Institute of Technology, Meguro-ku, Tokyo 152-8550, Japan.

Laboratory for Zero-Carbon Energy, Institute of Innovative Research, Tokyo Institute of Technology, Meguro-ku, Tokyo 152-8550, Japan.

出版信息

Chem Commun (Camb). 2024 Aug 1;60(63):8236-8239. doi: 10.1039/d4cc01951b.

Abstract

Assembly of coordination networks from Cd(II) and a multi-interactive hexaazaphenalene-based ligand was successfully modulated using magnetic fields and thermodynamic control. A relatively weak field of only 320 mT was able to perturb the orientational distribution of the ligand in solution nudging the reaction down a different path. The underlying mechanism involved alignment of the ligands along the field lines, which was supported by DFT calculations. This crystallization technique could be extended to the synthesis of other networks and facilitate a deeper exploration of the reaction landscapes.

摘要

利用磁场和热力学控制成功调节了由镉(II)和一种基于六氮杂菲的多相互作用配体构建的配位网络。仅320 mT的相对较弱磁场就能扰动配体在溶液中的取向分布,使反应沿着不同路径进行。其潜在机制涉及配体沿磁力线排列,这得到了密度泛函理论计算的支持。这种结晶技术可扩展到其他网络的合成,并有助于更深入地探索反应态势。

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