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Title
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The role of unconventional stacking interactions in the supramolecular assemblies of Hg(ii) coordination compounds
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Type
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JournalPaper
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Keywords
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counter-anions,distorted hexagonal bipyramidal,coordination frameworks,
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Abstract
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In this study, nine mercuryIJII) complexes of the composition [HgIJLn)IJX)2] (X = Cl, Br and I, n =1–3), (L1 = 2-pyridine piconyl hydrazone); L2 = (2-acetylpyridine piconyl hydrazone) and L3 = (2-phenylpyridine piconyl hydrazone) are synthesized and spectroscopically characterized. Single-crystal X-ray crystallogra- phy showed that the molecular complexes can aggregate into larger entities depending upon the anion coordinated to the metal centre. Moreover, Hirshfeld surface (HS) analyses were employed to gain addi- tional insight into interactions responsible for the packing of complexes 1–9. Quantitative examination of 2D fingerprint plots revealed, among others, the dominating participation of H⋯H and H⋯X interactions in the molecular packing. Moreover, C–H⋯X hydrogen bonds, π–π, and chelate-ring–π interactions are de- scribed and analysed by means of density functional theory (DFT) calculations since they play an important role in the construction of three-dimensional supramolecular frameworks. The influence of the halide on the energetic features of the assemblies has been also studied.
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Researchers
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Antonio Frontera (Not In First Six Researchers), Elena Lopez-Torres (Not In First Six Researchers), Antonio Rodríguez-Diéguez (Not In First Six Researchers), Waldemar Maniukiewicz, (Fifth Researcher), Fedor I. Zubkov (Fourth Researcher), Atash V. Gurbanov, (Third Researcher), Antonio Bauzá (Second Researcher), Ghodrat Mahmoudi (First Researcher)
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