An investigation of two heterobimetallic [Cu(II)2Ln(III)] (Ln = La and Ce) complexes of a more flexible bis(salamo)‐type ligand

• Published in: Journal of molecular structure 2023-03, Vol.1275, p.134617, Article 134617
• Main Authors: Ma, Long-Jun, Li, Xun, Yan, Yuan-Ji, Yue, Yong-Ning, Dong, Wen-Kui
• Format: Article
• Language: English
• Subjects: 3d–4f; Crystal structure; DFT and Hirshfeld calculation; Flexible bis(salamo)-type ligand; Fluorescence property
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2022.134617

•Heterobimetalic [Cu(II)2Ln(III)] (Ln = La and Ce) complexes were synthesized and characterized structurally.•It can be seen from complex 2 that the coordination ability of nitrate is stronger than that of acetic acid.•Hirshfeld surface analyses, DFT calculations and luminescences of the complexes 1 and 2 were investigated. Two heterobimetallic [Cu(II)2Ln(III)] (Ln = La and Ce) complexes composed of flexible bis(salamo)‐type ligand H4L with Cu(II) and Ln(III) atoms, [Cu2La(L)(ƞ2-NO3)3]·EtOH (1) and [Cu2Ce(L)(ƞ2-NO3)3]·EtOH (2) have been successfully synthesized, and characterized by IR spectra, elemental analyses, UV–Vis spectroscopy, the crystal structures of the complexes 1 and 2 were determined by single-crystal X-ray diffraction analyses. Each Cu(II) atom of the complexes 1 and 2 is located in the N2O2-donor of the completely deprotonated (L)4− unit, so that the two Cu(II) atoms have tetra-coordinated slightly distorted square planar geometries, while the Ln(III) (La or Ce) atom is located in the O5 cavity of the ligand (L)4− unit. At the same time, there are six oxygen atoms from three bidentate nitrate groups coordinated with the Ln(III) (La or Ce) atom, resulting in the formation of an eleven-coordinated augmented sphenocorona J87. In addition, DFT calculations and Hirshfeld surfaces analyses are performed and fluorescence properties are evaluated. [Display omitted] Two heterobimetalic [Cu(II)2Ln(III)] (Ln = La and Ce) complexes composed of a flexible bis(salamo)‐type ligand H4L with Cu(II) and lanthanide(III) atoms, [Cu2La(L)(ƞ2-NO3)3]·EtOH (1) and [Cu2Ce(L)(ƞ2-NO3)3]·EtOH (2) have been successfully synthesized. The central lanthanide(III) atom forms eleven-coordinated augmented sphenocorona J87. At the same time, DFT calculations are performed and fluorescence properties are evaluated.