Please use this identifier to cite or link to this item: http://www.repositorio.ufop.br/handle/123456789/4506
Title: Structural characterization and vibrational spectroscopy of the arsenate mineral wendwilsonite.
Authors: Frost, Ray Leslie
Cipriano, Ricardo Augusto Scholz
López, Andrés
Belotti, Fernanda Maria
Xi, Yunfei
Keywords: Wendwilsonite
Arsenate
Raman spectroscopy
Infrared spectroscopy
Roselite
Issue Date: 2014
Citation: FROST, R. L. et al. Structural characterization and vibrational spectroscopy of the arsenate mineral wendwilsonite. Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, v. 118, p. 737-743, 2014. Disponível em: <http://www.sciencedirect.com/science/article/pii/S138614251301055X>. Acesso em: 07 out. 2014.
Abstract: In this paper, we have investigated on the natural wendwilsonite mineral with the formulae Ca2(Mg,Co)(AsO4)2_2(H2O). Raman spectroscopy complimented with infrared spectroscopy has been used to determine the molecular structure of the wendwilsonite arsenate mineral. A comparison is made with the roselite mineral group with formula Ca2B(AsO4)2_2H2O (where B may be Co, Fe2+, Mg, Mn, Ni, Zn). The Raman spectra of the arsenate related to tetrahedral arsenate clusters with stretching region shows strong differences between that of wendwilsonite and the roselite arsenate minerals which is attributed to the cation substitution for calcium in the structure. The Raman arsenate (AsO4)3_ stretching region shows strong differences between that of wendwilsonite and the roselite arsenate minerals which is attributed to the cation substitution for calcium in the structure. In the infrared spectra complexity exists of multiple to tetrahedral (AsO4)3_ clusters with antisymmetric stretching vibrations observed indicating a reduction of the tetrahedral symmetry. This loss of degeneracy is also reflected in the bending modes. Strong Raman bands around 450 cm_1 are assigned to m4 bending modes. Multiple bands in the 350–300 cm_1 region assigned to m2 bending modes provide evidence of symmetry reduction of the arsenate anion. Three broad bands for wendwilsonite found at 3332, 3119 and 3001 cm_1 are assigned to OH stretching bands. By using a Libowitzky empirical equation, hydrogen bond distances of 2.65 and 2.75 Å are estimated. Vibrational spectra enable the molecular structure of the wendwilsonite mineral to be determined and whilst similarities exist in the spectral patternsb with the roselite mineral group, sufficient differences exist to be able to determine the identification of the minerals.
URI: http://www.repositorio.ufop.br/handle/123456789/4506
metadata.dc.identifier.doi: https://doi.org/10.1016/j.saa.2013.09.048
ISSN: 1386-1425
metadata.dc.rights.license: O periódico Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy concede permissão para depósito deste artigo no Repositório Institucional da UFOP. Número da licença 3487790558808.
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