Supramolecular Self‐Assembly of Novel Double Chloride‐Bridging Trinuclear Ni(II) Mono‐Salamo‐Type Cluster: Experimental and Theoretical Analysis

Applied Organometallic Chemistry, Год журнала: 2024, Номер 39(1)

Опубликована: Сен. 27, 2024

ABSTRACT A mono‐salamo‐type ligand H 2 L was prepared to utilize 3‐methoxysalicylaldehyde and a semi‐salamo‐type compound, its novel trinuclear Ni(II) cluster with two significantly various configurations in the solid state obtained by reaction of ions. The structure validated x‐ray technique, ions exhibited hexa‐coordinated twisted octahedrons. Its structural formula is [Ni 3 (L) ( μ ‐Cl) (EtOH) ]. Chloride have also successfully double bridged participate coordination, play critical impact configuration's stability charge balance. Two solvent ethanol molecules are participated coordination. coordination ratio metal ion verified be 2:3 UV–Vis absorption titration spectroscopy. HOMO LUMO energies frontline molecular orbitals complex were analyzed DFT calculations, energy gap value 4.29 eV, that 0.72 eV. combined decreased produced more active complex. Furthermore, Hirshfeld surface analysis visualizes weak interactions crystalline molecules, these abundant an especially effect supramolecular self‐assembling. fluorescent researches proclaimed fluorescence intensity compared ligand, suggesting this greater promise for sensing.

Язык: Английский

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Effects of counteranions and solvents on the binuclear and trinuclear Ni(II) complexes derived from an asymmetrical salamo-based ligand: Experimental and theoretical analysis

Journal of Molecular Structure, Год журнала: 2024, Номер 1319, С. 139398 - 139398

Опубликована: Июль 21, 2024

Язык: Английский

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mer-[Ni(dien)2]Cl2.H2O and mer-[Ni(dien)2](NO3)2 complexes (dien= diethylenetriamine): Synthesis, physical, computational studies, antioxidant activity, and their use as precursors for Ni/NiO nanoparticles’ preparation

Journal of Molecular Structure, Год журнала: 2024, Номер 1319, С. 139457 - 139457

Опубликована: Авг. 4, 2024

Язык: Английский

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Structural, spectroscopic, fluorescent, and computational studies of binuclear copper (II) and zinc (II) complexes with an asymmetric salamo‐type ligand

Applied Organometallic Chemistry, Год журнала: 2024, Номер 38(11)

Опубликована: Сен. 1, 2024

Salamo‐type ligand H 2 L was designed and synthesized reacted with Cu (II) Zn acetate, respectively, to obtain two binuclear complexes: [Cu (L) ]·2CH 3 OH ( 1 ) [Zn ] having the same coordination number but distinct geometries. Complex is a complex containing crystalline ethanol molecules, where atoms are surrounded by utterly deprotonated 2− parts, forming slightly twisted tetragonal pyramidal configurations of pentacoordinate. In , parts surround atoms, pentadentate triangular bipyramidal configurations. The complexes were elucidated via IR analyses ultraviolet spectroscopy. Using DFT theoretical calculation, MEPs, IRI, Hirshfeld surface analysis investigate further molecular interactions reaction sites. Ultimately, fluorescence characteristics its discussed.

Язык: Английский

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Asymmetric tridentate Schiff base ligand based mononuclear Zn(II) and Hg(II) complexes: Synthesis, structure, spectroscopic studies, thermal studies, and DFT calculation

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140045 - 140045

Опубликована: Сен. 1, 2024

Язык: Английский

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