Vibrational spectroscopic characterization of the sulphate mineral khademite Al(SO4)F⋅5(H2O)

Frost, Ray L., Scholz, Ricardo, López, Andrés, & Xi, Yunfei (2013) Vibrational spectroscopic characterization of the sulphate mineral khademite Al(SO4)F⋅5(H2O). Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy, 116, pp. 165-169.

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Vibrational spectroscopy has been used to characterize the sulphate mineral khademite Al(SO4)F∙5(H2O). Raman band at 991 cm-1 with a shoulder at 975 cm-1 is assigned to the ν1 (SO4)2- symmetric stretching mode. The observation of two symmetric stretching modes suggests that the sulphate units are not equivalent. Two low intensity Raman bands at 1104 and 1132 cm-1 are assigned to the ν3 (SO4)2- antisymmetric stretching mode. The broad Raman band at 618 cm-1 is assigned to the v4 (SO4)2- bending modes. Raman bands at 455, 505 and 534 cm-1 are attributable to the doubly degenerate v2 (SO4)2- bending modes.

Raman bands at 2991, 3146 and 3380 cm-1 are assigned to the OH stretching bands of water. Five infrared bands are noted at 2458, 2896, 3203, 3348 and 3489 cm-1 are also due to water stretching bands. The observation of multiple water stretching vibrations gives credence to the non-equivalence of water units in the khademite structure. Vibrational spectroscopy enables an assessment of the structure of khademite.

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4 citations in Web of Science®
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ID Code: 61784
Item Type: Journal Article
Refereed: Yes
Keywords: Khademite, Sulphate, Raman spectroscopy, Infrared spectroscopy
DOI: 10.1016/j.saa.2013.07.020
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: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2013 Elsevier B.V.
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 116, (2013)] DOI: 10.1016/j.saa.2013.07.020
Deposited On: 13 Aug 2013 03:25
Last Modified: 04 Jan 2016 11:20

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