The Importance of Spodium Bonds, H-bonds and Π-Stacking Interactions in the Solid State Structures of Four Zinc Complexes with Tetradentate Secondary Diamine Ligands
NEW JOURNAL OF CHEMISTRY(2023)
摘要
In this manuscript we report the preparation of four new zinc complexes, [{(mu-CH3COO)ZnL1}(2)Zn]center dot 2DMSO (1), [{(DMF)ZnL1(mu-CH3COO)(ZnLZn)-Zn-1(N-3)}]center dot 0.64DMSO center dot 0.36EtOH (2), [(mu-CH3COO)(2)Zn2L1](n)(3) and [(Zn2LCl2)-Cl-2] (4), and their characterization by elemental and spectral analyses, where H2L1 is 1,3-propanediylbis(iminomethylene)bis(4-chlorophenol) and H2L2 is 1,3-propanediylbis(iminomethylene)bis(6-methoxyphenol). The structures have been confirmed by single crystal X-ray diffraction analysis. The synthetic strategy for complexes 1 and 2 involves the use of drops of DMSO, which is essential to stabilize the crystals of 1 and 2, respectively, indicating the importance of DMSO in the stabilization of the complexes. A thorough DFT calculation using the quantum theory of atoms-in-molecules and the non-covalent interaction plot (NCI plot) indicates the formation of strong H-bonds, CH...pi and ancillary SpBs in complexes 1 and 2. DMSO has not been added during the synthesis of complexes 3 and 4, where no spodium bonds have been observed. Strong self-assembled (pi-pi stacked or H-bonded) dimers have been found in the solid state structures of 3 and 4.
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关键词
Hydrogen Bonding
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