Table 4. Molecular Vibrational Frequencies (in cm–1) of Adsorbed As(OH)3 at Water–FeS Interfaces.
ν(As–O) |
ν(O–H) |
||||||
---|---|---|---|---|---|---|---|
surface | configuration | As–O1 | As–O2 | As–O3 | O1–H | O2–H | O2–H |
free As(OH)3 | 700.8 (710)71 | 639.1 (655)71 | 638.3 (655)71 | 3738.1 | 3711.5 | 3674.7 | |
FeS(001) | As–up–outer | 695.1 | 620.7 | 585.8 | 3465.9 | 3182.9 | 3140.5 |
FeS(011) | Fe–AsO–Fe | 580.2 | 501.5 | 488.9 | 3715.1 | 3670.9 | 2829.1 |
FeS(111) | Fe–O–Fe | 673.5 | 616.5 | 456.1 | 3731.2 | 3204.2 | 2884.3 |