The dehydroxylation mechanism of mica is studied using IR spectroscopy; x-ray structure and thermodynamic analysis; and kinetic, quantum-mechanical, and quantum-chemical methods. Dehydroxylation is shown to involve localization of a proton between two O atoms. A model in which the hydroxyl proton is placed in a double potential well is proposed. The model allows the basic features of mineral dehydroxylation to be revealed. The proton energy increases if the mineral is heated so that the barrier becomes more transparent. The probability of a particle transitioning through the barrier owing to a tunnel effect is considered. The change of this probability defines the dehydroxylation process.
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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 86, No. 5, pp. 729–734, September–October, 2019.
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Shishelova, T.I., Lipovchenko, E.L. & Shulga, V.V. Mica Dehydroxylation Mechanism. J Appl Spectrosc 86, 817–821 (2019). https://doi.org/10.1007/s10812-019-00899-x
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DOI: https://doi.org/10.1007/s10812-019-00899-x