A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates

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dc.contributor.authorEmerson, AJen_AU
dc.contributor.authorEdwards, AJen_AU
dc.contributor.authorBatten, SRen_AU
dc.contributor.authorTurner, DRen_AU
dc.date.accessioned2016-08-08T04:54:21Zen_AU
dc.date.available2016-08-08T04:54:21Zen_AU
dc.date.issued2014-10-08en_AU
dc.date.statistics2016-08-04en_AU
dc.description.abstractTwo isostructural series of compounds NH4[Ln(cdm)4(H2O)4]·18c6·3H2O (1Ln) and [K(18c6)(H2O)2][Ln(cdm)4(H2O)4]·H2O (2Ln) have been synthesised and structurally characterised (Ln = Gd, Dy, Er, cdm = C(CN)2(CONH2)−). These two classes of compounds are shown to be essentially isostructural to each other despite the change in counter-cation (ammonium vs. potassium) and the ensuing changes in coordination and hydrogen-bonding of water molecules in the structure. Structural data for 1Dy and 2Dy have been obtained using single crystal Laue neutron diffraction, allowing the precise location of all hydrogen atoms to be determined using fully anisotropic models. Both 1 and 2 contain the anionic complex [Ln(cdm)4(H2O)4]− in which the 8-coordinate lanthanoid is coordinated by a ring of four O-bound cdm ligands supported by inter-ligand N–H⋯O hydrogen bonds. The structures pack with complicated hydrogen-bonding networks in which both coordinated and non-coordinated water molecules are hydrogen-bond donors and all of the nitrile groups of the cdm ligands are hydrogen-bond acceptors. The change in cation between ammonium and potassium affects two water molecule sites which are both coordinated in 2Ln but not in 1Ln; in 1Ln one of these water molecules forms a hydrogen bond with NH4+ whilst the other has neither a coordination interaction nor a hydrogen bond to its oxygen atom. © The Royal Society of Chemistry.en_AU
dc.identifier.citationEmerson, A. J., Edwards, A. J., Batten, S. R., & Turner, D. R. (2014). A neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidates. [10.1039/C3CE42031K]. CrystEngComm, 16(9), 1625-1631. doi:10.1039/c3ce42031ken_AU
dc.identifier.govdoc6901en_AU
dc.identifier.issn1466-8033en_AU
dc.identifier.issue9en_AU
dc.identifier.journaltitleCrystEngCommen_AU
dc.identifier.pagination1625-1631en_AU
dc.identifier.urihttp://dx.doi.org/10.1039/c3ce42031ken_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/7257en_AU
dc.identifier.volume16en_AU
dc.language.isoenen_AU
dc.publisherRoyal Society of Chemistryen_AU
dc.subjectCationsen_AU
dc.subjectInorganic compoundsen_AU
dc.subjectHydrogenen_AU
dc.subjectWateren_AU
dc.subjectMoleculesen_AU
dc.subjectLigandsen_AU
dc.titleA neutron diffraction study of hydrogen bonding in isostructural potassium and ammonium lanthanoidatesen_AU
dc.typeJournal Articleen_AU
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