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
Middya, P., Karmakar, M., Gomila, R. M., Drew, M. G. B., Frontera, A. Full text not archived in this repository. It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing. To link to this item DOI: 10.1039/d2nj05490f Abstract/SummaryIn this manuscript we report the preparation of four new zinc complexes, [{(μ-CH3COO)ZnL1}2Zn]·2DMSO (1), [{(DMF)ZnL1(μ-CH3COO)ZnL1Zn(N3)}]·0.64DMSO·0.36EtOH (2), [(μ-CH3COO)2Zn2L1]n(3) and [Zn2L2Cl2] (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⋯π 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 (π–π stacked or H-bonded) dimers have been found in the solid state structures of 3 and 4.
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