Abstract
Abstract: A new dinuclear Zn(II) complex Zn2L(H2O)(NCS)2 (1) is synthesized by the reaction of the tetradentate Schiff base ligand N,N′-bis(5-bromosalicylidene)-1,3-diaminopropane (H2L) with Zn(OAc)2·2H2O in the presence of sodium thiocyanate. The ligand and complex 1 are characterized by microanalytical and spectroscopic techniques. The structure of the complex is established by single crystal X-ray diffraction studies. In the phenoxo-bridged zinc complex, one Zn atom is five-coordinated in a square-pyramidal geometry while another is four-coordinated in a tetrahedral geometry. To gain insight into the structural features of complex 1, DFT studies are performed. The calculations reveal a strong effect of the intermolecular interaction, namely the π–π stacking interaction, on the geometry of the complex.
Original language | English |
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Pages (from-to) | 9-18 |
Number of pages | 10 |
Journal | Journal of Structural Chemistry |
Volume | 63 |
Issue number | 1 |
DOIs | |
Publication status | Published - Jan 2022 |
Keywords
- crystal structure
- DFT
- dinuclear
- Schiff base
- zinc(II)
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Inorganic Chemistry
- Materials Chemistry