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This study provides the thermodynamic stability of the Hg(NOM-RS)2 structure using a robust method in which cysteine (Cys) served as a competing ligand to NOM (Suwannee River 2R101N sample) associated RSH groups. The concentration of the latter was quantified to be 7.5 \u00b1 0.4 \u03bcmol g\u20131 NOM by Hg LIII-edge EXAFS spectroscopy. The Hg(Cys)2 molecule concentration in chemical equilibrium with the Hg(II)-NOM complexes was directly determined by HPLC-ICPMS and losses of free Cys due to secondary reactions with NOM was accounted for in experiments using 1H NMR spectroscopy and 13C isotope labeled Cys. The log K \u00b1 SD for the formation of the Hg(NOM-RS)2 molecular structure, Hg2+ + 2NOM-RS\u2013 = Hg(NOM-RS)2, and for the Hg(Cys)(NOM-RS) mixed complex, Hg2+ + Cys\u2013 + NOM-RS\u2013 = Hg(Cys)(NOM-RS), were determined to be 40.0 \u00b1 0.2 and 38.5 \u00b1 0.2, respectively, at pH 3.0. The magnitude of these constants was further confirmed by 1H NMR spectroscopy and the Hg(NOM-RS)2 structure was verified by Hg LIII-edge EXAFS spectroscopy. An important finding is that the thermodynamic stabilities of the complexes Hg(NOM-RS)2, Hg(Cys)(NOM-RS) and Hg(Cys)2 are very similar in magnitude at pH values &amp;lt;7, when all thiol groups are protonated. Together with data on 15 low molecular mass (LMM) thiols, as determined by the same method ( Liem-Ngyuen et al. Thermodynamic stability of mercury(II) complexes formed with environmentally relevant low-molecular-mass thiols studied by competing ligand exchange and density functional theory. Environ. Chem.2017, 14, (4), 243\u2212253..), the constants for Hg(NOM-RS)2 and Hg(Cys)(NOM-RS) represent an internally consistent thermodynamic data set that we recommend is used in studies where the chemical speciation of Hg(II) is determined in the presence of NOM and LMM thiols.<\/jats:p>","DOI":"10.1021\/acs.est.8b00919","type":"journal-article","created":{"date-parts":[[2018,7,7]],"date-time":"2018-07-07T11:32:36Z","timestamp":1530963156000},"page":"8292-8301","source":"Crossref","is-referenced-by-count":78,"title":["Thermodynamics\nof Hg(II) Bonding to Thiol Groups in Suwannee River Natural Organic\nMatter Resolved by Competitive Ligand Exchange, Hg LIII-Edge EXAFS and 1H NMR Spectroscopy"],"prefix":"10.1021","volume":"52","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8610-0525","authenticated-orcid":true,"given":"Yu","family":"Song","sequence":"first","affiliation":[{"name":"Swedish University of Agricultural Science , , ,","place":["Ume\u00e5, Sweden, SE-901 83"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tao","family":"Jiang","sequence":"additional","affiliation":[{"name":"Swedish University of Agricultural Science , , ,","place":["Ume\u00e5, Sweden, SE-901 83"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Van","family":"Liem-Nguyen","sequence":"additional","affiliation":[{"name":"Swedish University of Agricultural Science , , ,","place":["Ume\u00e5, Sweden, SE-901 83"]},{"name":"O\u0308rebro University , , ,","place":["O\u0308rebro, Sweden, SE-701 82"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tobias","family":"Sparrman","sequence":"additional","affiliation":[{"name":"Ume\u00e5 University , , ,","place":["Ume\u00e5, Sweden, SE-901 87"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9570-8738","authenticated-orcid":true,"given":"Erik","family":"Bjo\u0308rn","sequence":"additional","affiliation":[{"name":"Ume\u00e5 University , , ,","place":["Ume\u00e5, Sweden, SE-901 87"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6939-8799","authenticated-orcid":true,"given":"Ulf","family":"Skyllberg","sequence":"additional","affiliation":[{"name":"Swedish University of Agricultural Science , , ,","place":["Ume\u00e5, Sweden, SE-901 83"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2018,7,7]]},"reference":[{"issue":"4","key":"2026090317163738200_cit1","doi-asserted-by":"publisher","first-page":"243","DOI":"10.1071\/EN17062","article-title":"Thermodynamic stability of mercury(II) complexes formed\nwith environmentally relevant low-molecular-mass thiols studied by\ncompeting ligand exchange and density functional theory","volume":"14","author":"Liem-Nguyen","year":"2017","journal-title":"Environmental Chemistry"},{"issue":"G2","key":"2026090317163738200_cit2","doi-asserted-by":"publisher","DOI":"10.1029\/2008JG000745","article-title":"Competition among\nthiols and inorganic sulfides and polysulfides for Hg and MeHg in\nwetland soils and sediments under suboxic conditions: Illumination\nof controversies and implications for MeHg net production","volume":"113","author":"Skyllberg","year":"2008","journal-title":"J. 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