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

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dc.creatorNascimento Neto, José Antônio do
dc.creatorSilva, Cameron Capeletti da
dc.creatorRibeiro, Leandro
dc.creatorValdo, Ana Karoline Silva Mendanha
dc.creatorMartins, Felipe Terra
dc.date.accessioned2023-11-29T11:18:10Z
dc.date.available2023-11-29T11:18:10Z
dc.date.issued2018
dc.description.abstractThe 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.
dc.identifier.citationNASCIMENTO NETO, José Antônio do et al. 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. Zeitschrift für Kristallographie. Crystalline Materials, Berlin, v. 234, n. 2, p. 119-128, 2018. DOI: 10.1515/zkri-2018-2097. Disponível em: https://www.degruyter.com/document/doi/10.1515/zkri-2018-2097/html. Acesso em: 28 nov. 2023.
dc.identifier.doi10.1515/zkri-2018-2097
dc.identifier.issne- 2196-7105
dc.identifier.urihttps://www.degruyter.com/document/doi/10.1515/zkri-2018-2097/html
dc.language.isoeng
dc.publisher.countryAlemanha
dc.publisher.departmentInstituto de Química - IQ (RMG)
dc.rightsAcesso Restrito
dc.subjectConformation
dc.subjectCoordination
dc.subjectDFT
dc.subjectHydrate
dc.subjectHydrogen bonding
dc.titleCompetition between coordination bonds and hydrogen bonding interactions in solvatomorphs of copper(II), cadmium(II) and cobalt(II) complexes with 2,2′-bipyridyl and acetate
dc.typeArtigo

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