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Three supramolecular trinuclear nickel(II) complexes based on Salamo-type chelating ligand: syntheses, crystal structures, solvent effect, Hirshfeld surface analysis and DFT calculation.
- Source :
- Transition Metal Chemistry; May2020, Vol. 45 Issue 4, p279-293, 15p
- Publication Year :
- 2020
-
Abstract
- Three Ni(II) complexes {[NiL(μ-OAc)(CH<subscript>3</subscript>CH<subscript>2</subscript>OH)]<subscript>2</subscript>Ni} (1), {[NiL(μ-OAc)(CH<subscript>3</subscript>OH)]<subscript>2</subscript>Ni]·2CH<subscript>2</subscript>Cl<subscript>2</subscript>·2CH<subscript>3</subscript>OH (2) and {[NiL(μ-OAc)(CH<subscript>3</subscript>OH)]<subscript>2</subscript>Ni}·1.5CH<subscript>3</subscript>OH (3) based on a Salamo-type bis-oxime ligand (H<subscript>2</subscript>L = 2,2′-[ethylenedioxybis(nitrilo-methylidyne)]dinaphthol) have been synthesized and characterized by physicochemical and spectroscopic methods. The complexes 1, 2 and 3 are all trinuclear structures, and the center Ni(II) ions are six-coordinated and show the slightly distorted octahedral coordination. They all consist of three Ni(II) ions, two deprotonated L<superscript>2-</superscript> units, two μ-acetato ligands and two coordinated solvent molecules, as well as the crystallizing solvent molecules. Although the molecular structures of the Ni(II) complexes 1, 2 and 3 are similar to each other, obtained in different solvents, the supramolecular structures are entirely different. The complexes 1, 2 and 3 possess the self-assembled infinite 1D, 3D and 2D supramolecular structures via different intermolecular interactions (hydrogen bonds, C–H···π and π···π stacking interaction), respectively. But complex 2 formed a 3D structures by intramolecular hydrogen bonds. It is significant that the solvent molecules have obvious effects on the optical properties and molecular configuration. The Hirshfeld surface analysis showed that the short-range forces of the hydrogen bonds in complexes 1, 2 and 3 accounted for 67.8%, 44.6% and 52.7%, respectively. The molecular orbital energies for ligand H<subscript>2</subscript>L and complex 1 were obtained by DFT calculation, and the electron distribution, energy level and energy gap of HOMO and LUMO were given. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 03404285
- Volume :
- 45
- Issue :
- 4
- Database :
- Complementary Index
- Journal :
- Transition Metal Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 143095770
- Full Text :
- https://doi.org/10.1007/s11243-020-00379-8