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. ORCID: https://orcid.org/0000-0001-7840-2139 and Chattopadhyay, S. ORCID: https://orcid.org/0000-0001-7772-9009 (2023) 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, 47 (19). pp. 9346-9363. ISSN 1369-9261 doi: 10.1039/d2nj05490f

Abstract/Summary

In 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.

Item Type	Article
URI	https://reading-clone.eprints-hosting.org/id/eprint/111884
Item Type	Article
Refereed	Yes
Divisions	Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
Uncontrolled Keywords	Materials Chemistry, General Chemistry, Catalysis
Publisher	Royal Society of Chemistry (RSC)
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