Tetraaquabis(2-hydroxyethylammonium)nickel(II) and tetraaquabis(2-hydroxyethylammonium)cobalt(II) disulfates as studied by X-ray diffraction, vibrational spectroscopy and ab initio geometry optimization

Panče Naumov, Vera Jordanovska, Michael G.B. Drew, Seik Weng Ng

Research output: Contribution to journalArticle

Abstract

The cobalt(II) and nickel(II)2-hydroxyethylammonium double sulfates, [M(NH3CH2CH2OH) 2(H2O)4](SO4)2, are isomorphous centro-symmetric compounds that crystallize in the monoclinic P21/c space group (M = Co: a = 6.894(8), b = 10.425(13), c = 11.706(14) Å; β = 105.95(1)°; M = Ni: a = 6.880(9), b = 10.404(14), c = 11.701(16) Å; β = 105.72(1)°). The metal atoms show an all-trans octahedral coordination. Organic cation coordinates to the metal atom through the hydroxyl end and it is engaged in extensive hydrogen bonding interactions with the water and sulfate ions. The hydrogen bonding network and the anionic symmetry were probed by infrared spectroscopic measurements. The ground-state geometry of the 2-hydroxyethylammonium entity was also investigated by correlation consistent ab initio calculations and compared to the known solid-state conformations of the cation archived in the Cambridge Structural Database.

Original languageEnglish (US)
Pages (from-to)455-460
Number of pages6
JournalSolid State Sciences
Volume4
Issue number4
DOIs
StatePublished - 2002

Keywords

  • Ab initio calculations
  • FT IR spectra
  • Isomorphism
  • Sulfates
  • X-ray diffraction

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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