A vibrational spectroscopic study of hydrated Fe3+ hydroxyl-sulphates; polymorphic minerals butlerite and parabutlerite

Cejka, Jiri, Sejkora, Jiri, Plasil, Jakub, Bahfenne, Silmarilly, Palmer, Sara J., Rintoul, Llewellyn, & Frost, Ray L. (2011) A vibrational spectroscopic study of hydrated Fe3+ hydroxyl-sulphates; polymorphic minerals butlerite and parabutlerite. Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy, 79(5), pp. 1356-1363.

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Raman and infrared spectra of two polymorphous minerals with the chemical formula Fe3+(SO4)(OH)•2H2O, monoclinic butlerite and orthorhombic parabutlerite, are studied and the spectra assigned. Observed bands are attributed to the (SO4)2- stretching and bending vibrations, hydrogen bonded water molecules, stretching and bending vibrations of hydroxyl ions, water librational modes, Fe-O and Fe-OH stretching vibrations, Fe-OH bending vibrations and lattice vibrations. The O-H...O hydrogen bond lengths in the structures of both minerals are calculated from the wavenumbers of the stretching vibrations. One symmetrically distinct (SO4)2- unit in the structure of butlerite and two symmetrically distinct (SO4)2- units in the structure of parabutlerite are inferred from the Raman and infrared spectra. This conclusion agrees with the published crystal structures of both mineral phases.

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ID Code: 42530
Item Type: Journal Article
Refereed: Yes
Additional Information: This is the result of collaboration between the natural history museum of Prague Czech republic
Keywords: butlerite, parabutlerite, iron(III) sulphates, Raman spectroscopy, infrared spectroscopy, hydroxyl ions, molecular water, hydrogen bonds
DOI: 10.1016/j.saa.2011.04.069
ISSN: 1386-1425
Subjects: Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600) > Structural Chemistry and Spectroscopy (030606)
Divisions: Past > QUT Faculties & Divisions > Faculty of Science and Technology
Copyright Owner: Copyright 2011 Elsevier BV
Copyright Statement: This is the author’s version of a work that was accepted for publication in Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy, [VOL 79, ISSUE 5, (2011)] DOI: 10.1016/j.saa.2011.04.069
Deposited On: 12 Jul 2011 01:28
Last Modified: 21 Jun 2017 20:05

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