Influence of different counteranions on supramolecular self-assemblies, Hirshfeld surfaces analyses and fluorescence properties of three multi-nuclear Cu(II) salamo-based complexes

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Two dinuclear Ni (II) and Zn (II) salamo-type complexes, [Ni 2 (L)(μ-OAc) (MeOH)]Á2CHCl 3 (1) and [{Zn 2 (L)(μ-OMe)} 3 ]Á3CHCl 3 ÁMeOH (2), have been successfully synthesized by wet-chemical method and characterized by elemental analyses, IR spectra, UV-Vis spectra and single crystal X-ray diffraction. Complex 1 consists of two closely related dinuclear units 1A and 1B, and complex 2 consists of three closely related dinuclear units 2A, 2B and 2C. The five units are unique example of crystallographically independent but chemically identical molecules. The Ni (II) atoms of complex 1 are located in the N 2 O 4 coordination cavities, possessing six-coordinated distorted octahedral geometries, but all Zn (II) atoms in complex 2 are located in the N 2 O 3 coordination cavities, possessing five-coordinated distorted square-pyramid and triangular bipyramid geometries, the geometries about the Zn (II) atoms (Zn3 and Zn6) that obtain in 2B and 2C where τ 5 is very close to 0.500, which is τ 5Zn3 = 0.5006 and τ 5Zn6 = 0.4941, respectively. The interactions were quantitatively determined by Hirshfeld surfaces analyses. Significantly, fluorescence properties were also investigated.

Section: Hirshfeld Surfaces Analysesmentioning

confidence: 99%

Section: Fluorescence Propertiesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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An investigation of structure, Hirshfeld surface, and fluorescence properties of two dinuclear Ni (II) and Zn (II) salamo‐type complexes

Liu

et al. 2021

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“…Absorption corrections were applied using SADABS. [28] Hydrogen atoms on the carbon atoms were geometrically fixed and allowed to refine isotropically using a riding model. Crystallographic data and refinement parameters for complexes 1 and 2 are presented in Table 1.…”

Section: X-ray Structure Determination Of Complexes 1 Andmentioning

confidence: 99%

“…[20][21][22][23][24][25] Although flexible ligands with S, N, or O atom donors have been used to design d-zone transition metal frameworks, there are relatively few studies involving rigid ligands in the construction of high-nuclear clusters. [26][27][28][29][30][31] A key feature in this kind of structures is the presence of intramolecular π-π stacking interactions between ligands, which can further add to the stability of the complex. [32][33][34][35][36][37] Therefore, our recent studies have focused on the synthesis of complexes with bis(salamo)-type ligands.…”

Section: Introductionmentioning

confidence: 99%

Construction of novel hexanuclear Co(II) and dinuclear Ni(II) bis(salamo)‐type complexes

Feng

et al. 2021

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Two novel homomultinuclear complexes [Co 6 (L) 2 (μ-OAc) 4 ]Á2CHCl 3 ÁCH 3 COCH 3 (1) and [Ni 2 (L)(H 2 O) 2 (Py) 2 ]Á2CHCl 3 (2) with a newly designed rigid bis(salamo)-type tetraoxime ligand (H 4 L) were synthesized and characterized by elemental analyses, Fourier transform infrared (FT-IR) spectra, UV-Vis absorption spectra, and X-ray single-crystal diffractions. Complex 1 is a novel triple-decker symmetrical six-core cluster structure with twofold axis and inversion center. The Co(II) atoms were sandwiched between the bis(salamo)type ligands and possess two different geometries of distorted tetragonal pyramid and octahedron, respectively. Complex 2 possesses a dinuclear structure and the Ni(II) atoms are located in the N 2 O 2 cavities of the ligand, and axial coordination atoms come from the coordinated water and pyridine molecules. Both Ni(II) atoms adopt distorted octahedral geometries. The interactions were quantitatively determined by Hirshfeld surfaces analyses of complexes 1 and 2. The coordination ratios were determined by studying the fluorescence properties of complexes 1 and 2. The results of fluorescence titration experiment show that the metals to ligand binding ratios are 6:2 and 2:1 for complexes 1 and 2, respectively.

Two mono‐ and dinuclear Cu (II) complexes derived from 3‐ethoxy salicylaldehyde: X‐ray structures, spectroscopic, electrochemical, antibacterial activities, Hirshfeld surfaces analyses, and time‐dependent density functional theory studies

Chai

et al. 2021

The quinazoline-type ligand 2-(3-ethoxy-2-hydroxyphenyl)-4-methyl-1,-2-dihydroquinazolin 3-oxide (HL 1 , H is the deprotonatable hydrogen) was synthesized. Two mono-and dinuclear Cu (II) complexes, [Cu(L 2 ) 2 ]Á2CH 3 OH (1),amino}phenyl)ethanone oxime), were obtained via complexation of HL 1 with Cu (II) acetate monohydrate or Cu (II) nitrate trihydrate in methanol. HL 1 and both complexes were characterized by elemental analyses and spectroscopic methods. The structures of complexes were confirmed by single-crystal X-ray crystallography and the ratio of ligand to metal in 1 was 2:1 whereas 2 was 1:1. In the crystal structures, hexa-coordinated Cu (II) complex 1 was assembled into an infinite 1-D, 2-D network and 3-D supramolecular framework. Complex 2 included four deprotonated (L 2 ) À units, four coordinated Cu (II) and two coordinated nitrate anions, forming an infinite 2-D layer and interesting butterfly-shaped 3-D supramolecular skeleton. Specifically, the Cu1 and Cu4 centers were four-coordinated, while the Cu2 and Cu3 centers were penta-coordinated in 2. Furthermore, electrochemical properties and antibacterial activities of both complexes were also investigated. In addition, the electron paramagnetic resonance (EPR) spectra of 1 and 2 were also studied. The optimal geometries, HOMO-LUMO energies and molecular electrostatic potential diagrams of two complexes were calculated using density functional theory (DFT)/B3LYP, and specific electronic transitions in the UVvis spectra of 1 and 2 were recorded by time-dependent DFT (TD-DFT) calculations. Additionally, the noncovalent interactions between both complexes were also confirmed by Hirshfeld surfaces.