Oligopyrrolic Cu(II)-based tetragonal cage: synthesis, structure, and spectral and magnetic properties

Zhenhua Zhu; Shuting Liu; Chen Zhao; Xiao-Lei Li; Akseli Mansikkamäki; Jinkui Tang

doi:10.1039/D2DT02491H

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Oligopyrrolic Cu(ii)-based tetragonal cage: synthesis, structure, and spectral and magnetic properties†

Zhenhua Zhu,

^ad Shuting Liu,^a Chen Zhao,

^ab Xiao-Lei Li,

^a Akseli Mansikkamäki

*^c and Jinkui Tang

*^ab

Author affiliations

* Corresponding authors

^a State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
E-mail: tang@ciac.ac.cn

^b School of Applied Chemistry and Engineering, University of Science and Technology of China, Hefei 230026, China

^c NMR Research Unit, University of Oulu, P. O. Box 8000, Finland
E-mail: Akseli.Mansikkamaki@oulu.fi

^d University of Chinese Academy of Sciences, Beijing 100049, China

Abstract

The first oligopyrrolic Cu(II)-based metallocage featuring two antiferromagnetically coupled dimeric cupric tetracarboxylate units linked by a single molecule of water was assembled successfully using a nonlinear pyridine–pyrrolate ligand. Broken symmetry density functional theory (BS-DFT) calculations show that the exchange couplings between Cu(II) ions in the Cu₂ unit and over the water bridge are −298 and −0.13 cm⁻¹, respectively.

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DOI: https://doi.org/10.1039/D2DT02491H
Article type: Communication
Submitted: 31 Jul 2022
Accepted: 17 Aug 2022
First published: 17 Aug 2022

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Dalton Trans., 2022,51, 13596-13600

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Oligopyrrolic Cu(II)-based tetragonal cage: synthesis, structure, and spectral and magnetic properties

Z. Zhu, S. Liu, C. Zhao, X. Li, A. Mansikkamäki and J. Tang, Dalton Trans., 2022, 51, 13596 DOI: 10.1039/D2DT02491H

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Oligopyrrolic Cu(ii)-based tetragonal cage: synthesis, structure, and spectral and magnetic properties†

Abstract

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Oligopyrrolic Cu(II)-based tetragonal cage: synthesis, structure, and spectral and magnetic properties

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