Research output: Contribution to journal › Article › peer-review
In Situ Raman Study of Liquid Water at High Pressure. / Romanenko, Alexandr V.; Rashchenko, Sergey V.; Goryainov, Sergey V. et al.
In: Applied Spectroscopy, Vol. 72, No. 6, 01.06.2018, p. 847-852.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - In Situ Raman Study of Liquid Water at High Pressure
AU - Romanenko, Alexandr V.
AU - Rashchenko, Sergey V.
AU - Goryainov, Sergey V.
AU - Likhacheva, Anna Yu
AU - Korsakov, Andrey V.
PY - 2018/6/1
Y1 - 2018/6/1
N2 - A pressure shift of Raman band of liquid water (H2O) may be an important tool for measuring residual pressures in mineral inclusions, in situ barometry in high-pressure cells, and as an indicator of pressure-induced structural transitions in H2O. However, there was no consensus as to how the broad and asymmetric water Raman band should be quantitatively described, which has led to fundamental inconsistencies between reported data. In order to overcome this issue, we measured Raman spectra of H2O in situ up to 1.2 GPa using a diamond anvil cell, and use them to test different approaches proposed for the description of the water Raman band. We found that the most physically meaningful description of water Raman band is the decomposition into a linear background and three Gaussian components, associated with differently H-bonded H2O molecules. Two of these components demonstrate a pronounced anomaly in pressure shift near 0.4 GPa, supporting ideas of structural transition in H2O at this pressure. The most convenient approach for pressure calibration is the use of “a linear background + one Gaussian” decomposition (the pressure can be measured using the formula P (GPa) = −0.0317(3)·ΔνG (cm−1), where ΔνG represents the difference between the position of water Raman band, fitted as a single Gaussian, in measured spectrum and spectrum at ambient pressure).
AB - A pressure shift of Raman band of liquid water (H2O) may be an important tool for measuring residual pressures in mineral inclusions, in situ barometry in high-pressure cells, and as an indicator of pressure-induced structural transitions in H2O. However, there was no consensus as to how the broad and asymmetric water Raman band should be quantitatively described, which has led to fundamental inconsistencies between reported data. In order to overcome this issue, we measured Raman spectra of H2O in situ up to 1.2 GPa using a diamond anvil cell, and use them to test different approaches proposed for the description of the water Raman band. We found that the most physically meaningful description of water Raman band is the decomposition into a linear background and three Gaussian components, associated with differently H-bonded H2O molecules. Two of these components demonstrate a pronounced anomaly in pressure shift near 0.4 GPa, supporting ideas of structural transition in H2O at this pressure. The most convenient approach for pressure calibration is the use of “a linear background + one Gaussian” decomposition (the pressure can be measured using the formula P (GPa) = −0.0317(3)·ΔνG (cm−1), where ΔνG represents the difference between the position of water Raman band, fitted as a single Gaussian, in measured spectrum and spectrum at ambient pressure).
KW - diamond anvil cell
KW - HO
KW - high pressure
KW - liquid water structure
KW - Raman spectroscopy
KW - Water
KW - H2O
KW - KBAR
KW - FLUID INCLUSIONS
KW - INTERNAL-PRESSURE
KW - SPECTRA
KW - CELL
KW - BANDS
UR - http://www.scopus.com/inward/record.url?scp=85044042830&partnerID=8YFLogxK
U2 - 10.1177/0003702817752487
DO - 10.1177/0003702817752487
M3 - Article
C2 - 29258321
AN - SCOPUS:85044042830
VL - 72
SP - 847
EP - 852
JO - Applied Spectroscopy
JF - Applied Spectroscopy
SN - 0003-7028
IS - 6
ER -
ID: 12155308