Please use this identifier to cite or link to this item: http://www.repositorio.ufop.br/handle/123456789/4046
Title: Infrared and Raman spectroscopic characterization of the borate mineral hydroboracite CaMg[B3O4(OH)3]2 3H2O – implications for the molecular structure.
Authors: Frost, Ray Leslie
Cipriano, Ricardo Augusto Scholz
López, Andrés
Xi, Yunfei
Graça, Leonardo Martins
Keywords: Hydroboracite
Borate
Boron
Raman spectroscopy
Isotopic splitting
Espectroscopia Raman
Issue Date: 2014
Citation: FROST, R. L. et al. Infrared and Raman spectroscopic characterization of the borate mineral hydroboracite CaMg[B3O4(OH)3]2 3H2O – implications for the molecular structure. Journal of Molecular Structure, v. 1059, p. 20-26, 2014. Disponível em: <http://www.sciencedirect.com/science/article/pii/S0022286013009630>. Acesso em: 30 set. 2014.
Abstract: We have studied the mineral hydroboracite CaMg[B3O4(OH)3]2 3H2O using electron microscopy and vibrational spectroscopy. Both tetrahedral and trigonal boron units are observed. The nominal resolution of the Raman spectrometer is of the order of 2 cm^-1 and as such is sufficient enough to identify separate bands for the stretching bands of the two boron isotopes. The Raman band at 1039 cm^-1 is assigned to BO stretching vibration. Raman bands at 1144, 1157, 1229, 1318 cm^-1 are attributed to the BOH in-plane bending modes. Raman bands at 825 and 925 cm^-1 are attributed to the antisymmetric stretching modes of tetrahedral boron. The sharp Raman peak at 925 cm^-1 is from the 11-B component such a mode, then it should have a smaller 10-B satellite near (1.03) x (925) = 952 cm^-1, and indeed a small peak at 955 is observed. Four sharp Raman bands observed at 3371, 3507, 3563 and 3632 cm^-1 are attributed to the stretching vibrations of hydroxyl units. The broad Raman bands at 3076, 3138, 3255, 3384 and 3551 cm^-1 are assigned to water stretching vibrations. Infrared bands at 3367, 3505, 3559 and 3631 cm^-1 are assigned to the stretching vibration of the hydroxyl units. Broad infrared bands at 3072 and 3254 cm^-1 are assigned to water stretching vibrations. Infrared bands at 1318, 1349, 1371, 1383 cm^-1 are assigned to the antisymmetric stretching vibrations of trigonal boron.
URI: http://www.repositorio.ufop.br/handle/123456789/4046
metadata.dc.identifier.doi: https://doi.org/10.1016/j.molstruc.2013.11.012
ISSN: 0022-2860
metadata.dc.rights.license: O periódico Journal of Molecular Structure concede permissão para depósito deste artigo no Repositório Institucional da UFOP. Número da licença: 3481460562553.
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