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Competition between coordination bonds and hydrogen bonding interactions in solvatomorphs of copper(II), cadmium(II) and cobalt(II) complexes with 2,2′-bipyridyl and acetate

  • José Antônio do Nascimento Neto , Cameron Capeletti da Silva , Leandro Ribeiro , Ana Karoline Silva Mendanha Valdo and Felipe Terra Martins EMAIL logo
Published/Copyright: October 4, 2018
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 234 Issue 2

Abstract

The delicate balance among conformation, coordination bonds and hydrogen bonding has been probed in solvatomorphs of known metal-organic molecules synthesised from copper(II), cadmium(II) and cobalt(II) with acetate (OAc) and 2,2′-bipyridine (bipy). The Cu(OAc)2(bipy) complex, isolated as a pentahydrate, has the acetate ligands oriented to opposite sides of the coordination square plane. DFT calculations show the energy difference between this structure and a syn form amount to approximately 16 kJ/mol. The presence of lattice water enables the formation of O–H···O hydrogen bonds with the acetate ligands. Different coordination numbers and energies are found as a function of the number of water molecules co-crystallising in the Cd(OAc)2(bipy)(OH2)·3H2O and [Co(OAc)(bipy)2](OAc)·3H2O complexes.

Keywords: conformation; coordination; DFT; hydrate; hydrogen bonding

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Supplementary Material

The online version of this article offers supplementary material (https://doi.org/10.1515/zkri-2018-2097).

Received: 2018-05-28
Accepted: 2018-09-12
Published Online: 2018-10-04
Published in Print: 2019-02-25

©2019 Walter de Gruyter GmbH, Berlin/Boston

Articles in the same Issue

  1. Frontmatter
  2. Graphical Synopsis
  3. Inorganic
  4. Temperature induced twinning in aragonite: transmission electron microscopy experiments and ab initio calculations
  5. Organic
  6. Crystal structures, Hirsfeld surface analysis and a computational study of four ethyl 2-oxo-2H-chromene-3-carboxylate derivatives: a survey of organyl 2-oxo-2H-chromene-3-carboxylate structures
  7. Non-covalent interactions observed in nevirapinium pentaiodide hydrate which include the rare I4–I−···O=C halogen bonding
  8. Open-framework sodium uranyl selenate and sodium uranyl sulfate with protonated morpholino-N-acetic acid
  9. Competition between coordination bonds and hydrogen bonding interactions in solvatomorphs of copper(II), cadmium(II) and cobalt(II) complexes with 2,2′-bipyridyl and acetate
  10. Crystallographic Computing
  11. Stress, strain and Raman shifts
https://doi.org/10.1515/zkri-2018-2097
Keywords for this article
conformation; coordination; DFT; hydrate; hydrogen bonding

Articles in the same Issue

  1. Frontmatter
  2. Graphical Synopsis
  3. Inorganic
  4. Temperature induced twinning in aragonite: transmission electron microscopy experiments and ab initio calculations
  5. Organic
  6. Crystal structures, Hirsfeld surface analysis and a computational study of four ethyl 2-oxo-2H-chromene-3-carboxylate derivatives: a survey of organyl 2-oxo-2H-chromene-3-carboxylate structures
  7. Non-covalent interactions observed in nevirapinium pentaiodide hydrate which include the rare I4–I−···O=C halogen bonding
  8. Open-framework sodium uranyl selenate and sodium uranyl sulfate with protonated morpholino-N-acetic acid
  9. Competition between coordination bonds and hydrogen bonding interactions in solvatomorphs of copper(II), cadmium(II) and cobalt(II) complexes with 2,2′-bipyridyl and acetate
  10. Crystallographic Computing
  11. Stress, strain and Raman shifts
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