Temperature dependence of IR absorption of hydrous/hydroxyl species in minerals and synthetic materials

Zhang, M. and Salje, E. K. H. and Carpenter, M. A. and Wang, J. Y. and Groat, L. A. and Lager, G. A. and Wang, L. and Beran, A. and Bismayer, U. (2007) Temperature dependence of IR absorption of hydrous/hydroxyl species in minerals and synthetic materials. American Mineralogist, 92 (8-9). pp. 1502-1517. DOI https://doi.org/10.2138/am.2007.2586

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We report on temperature dependencies of infrared (IR) fundamental, combination, and overtone vibrations of hydroxyl species (OH) in nominally anhydrous minerals (e.g., titanite), ferroelectric crystals (KTa1–xNbxO3, KTN), layer silicates (talc, mica, and pyrophyllite), and hydrous minerals such as apatite and synthetic hydrous/deuterated garnets [Ca3Al2(O4H4)3 and Ca3Al2(O4D4)3] for the temperature range of 20–300 K. Data obtained by high-resolution FTIR spectroscopy show that in- creasing temperature generally leads to a decrease in the band height and band area of fundamental vibrations of hydroxyl species, whereas the combination and first-overtone bands commonly show different temperature dependencies. The results show that in the investigated temperature range, the variations of the band height and area for different OH bands (especially for combinations and over-tones) on cooling or heating do not refl ect changes in OH concentrations in the materials, but relate to temperature-dependent absorption coeffi cients. The observations imply that absorption coeffi cients calibrated at room temperature cannot necessarily be used for the determination of ydroxyl contents at other temperatures.

Item Type: Article
Uncontrolled Keywords: 2007 AREP IA55 2007 P
Subjects: 03 - Mineral Sciences
Divisions: 03 - Mineral Sciences
Journal or Publication Title: American Mineralogist
Volume: 92
Page Range: pp. 1502-1517
Identification Number: https://doi.org/10.2138/am.2007.2586
Depositing User: Sarah Humbert
Date Deposited: 16 Feb 2009 13:04
Last Modified: 23 Jul 2013 09:54
URI: http://eprints.esc.cam.ac.uk/id/eprint/835

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