Temperature dependence of the OH-stretching frequencies in topaz-OH |
| |
Authors: | Anke Watenphul Bernd Wunder |
| |
Institution: | (1) Deutsches GeoForschungsZentrum (GFZ), Sect. 3.3, Telegrafenberg, 14473 Potsdam, Germany |
| |
Abstract: | Hydrogen bonding in topaz-OH, Al2SiO4(OH)2, was investigated by IR spectroscopic analysis of the temperature dependence of the OH-stretching frequencies. Low-temperature
spectra ranging from −196 to −160°C prove the existence of four non-equivalent H-positions in the crystal structure from the
occurrence of four different OH-bands. With increasing temperature, these bands merge first, above −160°C, into two OH-bands
and then above 400°C into one asymmetric broad band. Shifting of the OH-bands is caused by thermally induced hydrogen order–disorder.
Low temperature fixes the protons in their positions; increasing temperature induces proton movement and allows switching
between the different positions. Autocorrelation analysis of the IR spectra reveals two phase transitions, one at about −155°C
from P1 to Pbn2
1
characterized as static–dynamic change and the second at about 380°C from Pbn2
1
to Pbnm caused by disordering of the protons. The increasing symmetry with temperature is due to advanced proton movement and dynamical
averages over the proton distribution densities. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|