Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1275, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2022.134617
Keywords
Flexible bis(salamo)-type ligand; 3d-4f; Crystal structure; DFT and Hirshfeld calculation; Fluorescence property
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Two heterobimetallic complexes [Cu(II)2Ln(III)] (Ln = La and Ce) with flexible bis(salamo)-type ligand H4L, Cu(II) and Ln(III) atoms were successfully synthesized. The complexes were characterized using IR spectra, elemental analyses, UV-Vis spectroscopy, and single-crystal X-ray diffraction analyses. The Cu(II) atoms in the complexes have slightly distorted square planar geometries, while the Ln(III) atoms are located in the cavity of the ligand and coordinated with bidentate nitrate groups, forming an eleven-coordinated structure. DFT calculations and Hirshfeld surfaces analyses were performed, and the fluorescence properties were evaluated.
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)( 7/2-NO3)3] middotEtOH (1) and [Cu2Ce(L)( 7/2-NO3)3] middotEtOH (2) have been successfully synthesized, and characterized by IR spectra, elemental analyses, UV-Vis spec-troscopy, the crystal structures of the complexes 1 and 2 were determined by single-crystal X-ray diffrac-tion 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 O 5 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.(c) 2022 Elsevier B.V. All rights reserved.
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