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. Author manuscript; available in PMC: 2023 Sep 22.
Published in final edited form as: Environ Sci Technol. 2020 Aug 4;54(16):9769–9790. doi: 10.1021/acs.est.0c01666

Table 1.

Target and Competitor Oxo-anion pKa’s, Geometry, and Common Occurrence Range

Oxo-anion pKa’s Protonated Structure at pH 6 Oxo-anion Geometry Common Occurrence Concentration Range in Groundwater Refs.
Target Oxo-anions
Arsenate
As(V)
H2AsO4
pKa1 = 2.2
pKa2 = 7.0
pKa3 = 11.6
graphic file with name nihms-1929788-t0001.jpg Tetrahedral Background: < 0.01 mg/L
Affected waters: 0.08 to 5 mg/ L
2931
Arsenite
As(III)
H3AsO3
pKa1 = 9.2 graphic file with name nihms-1929788-t0002.jpg Trigonal pyramid Background: < 0.01 mg/L
Affected waters: 0.01 to 5 mg/ L
30,32
Selenate
Se(VI)
SeO42-
pKa1 = −3.0
pKa2 = 1.7
graphic file with name nihms-1929788-t0003.jpg Tetrahedral Background: < 2×10−5 mg/L
Affected waters: 0.14 to 1.4 mg/L
3335
Selenite
Se(VI)
HSeO3
pKa1 = 2.6
pKa2 = 8.2
graphic file with name nihms-1929788-t0004.jpg Trigonal pyramid Background: < 2×10−5 mg/L
Affected waters: 0.14 to 1.4 mg/L
3335
Chromate
Cr(VI)
HCrO4
pKa1 = −0.98
pKa2 = 6.5
graphic file with name nihms-1929788-t0005.jpg Tetrahedral Background: 0.002 to 0.014 mg/L
Affected waters: 0.05 to 0.43 mg/L
36,37
Competitor Oxo-anions
Phosphate
H2PO4
pKa1 = 2.1
pKa2 = 7.2
pKa3 = 12.7
graphic file with name nihms-1929788-t0006.jpg Tetrahedral Background (total phosphorus): 0.05 to 2 mg/L 29,3840
Sulfate
SO42-
pKa1 = −3.0
pKa2 = 2.0
graphic file with name nihms-1929788-t0007.jpg Tetrahedral Background: 1 to 250 mg/L 4143
Silicate
H4SiO4
pKa1 = 9.8 graphic file with name nihms-1929788-t0008.jpg Tetrahedral Background: 1 to 30 mg/L 42
44
Bicarbonate
HCO3
pKa1 = 6
pKa2 = 10.3
graphic file with name nihms-1929788-t0009.jpg Trigonal planar Background: 150 to 450 mg/L 42,45
Nitrate
NO3
pKa1 = −1.3 graphic file with name nihms-1929788-t0010.jpg Trigonal planar Background: 0.2 to 10 mg/L 39,41,46