Anion induced formation of supramolecular associations involving lone pair-π and anion-π interactions in Co(II) malonate complexes: experimental observations, Hirshfeld surface analyses and DFT studies

Inorganic Chemistry
Prankrishna MannaSubrata Mukhopadhyay

Abstract

Three Co(II)-malonate complexes, namely, (C(5)H(7)N(2))(4)[Co(C(3)H(2)O(4))(2)(H(2)O)(2)](NO(3))(2) (1), (C(5)H(7)N(2))(4)[Co(C(3)H(2)O(4))(2)(H(2)O)(2)](ClO(4))(2) (2), and (C(5)H(7)N(2))(4)[Co(C(3)H(2)O(4))(2)(H(2)O)(2)](PF(6))(2) (3) [C(5)H(7)N(2) = protonated 2-aminopyridine, C(3)H(4)O(4) = malonic acid, NO(3)(-) = nitrate, ClO(4)(-) = perchlorate, PF(6)(-) = hexafluorophosphate], have been synthesized from purely aqueous media, and their crystal structures have been determined by single crystal X-ray diffraction. A thorough analysis of Hirshfeld surfaces and fingerprint plots facilitates a comparison of intermolecular interactions in 1-3, which are crucial in building supramolecular architectures. When these complexes are structurally compared with their previously reported analogous Ni(II) or Mg(II) compounds, a very interesting feature regarding the role of counteranions has emerged. This phenomenon can be best described as anion-induced formation of extended supramolecular networks of the type lone pair-π/π-π/π-anion-π/π-lone pair and lone pair-π/π-π/π-anion involving various weak forces like lone pair-π, π-π, and anion-π interactions. The strength of these π contacts has been estimated using DFT calculations (M06/6-31+...Continue Reading

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Citations

Feb 24, 2015·Dalton Transactions : an International Journal of Inorganic Chemistry·Hamid Reza Khavasi, Bahareh Mir Mohammad Sadegh
Dec 9, 2014·Physical Chemistry Chemical Physics : PCCP·Qian GouWalther Caminati
Jun 1, 2018·Acta Crystallographica. Section E, Crystallographic Communications·Saikat Kumar Seth
May 25, 2021·Acta Crystallographica. Section E, Crystallographic Communications·Mohd MuslimAshraf Mashrai
Jun 7, 2012·The Journal of Physical Chemistry Letters·A NijamudheenAyan Datta

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