{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,23]],"date-time":"2026-09-23T19:51:08Z","timestamp":1790193068770,"version":"4.1.0"},"reference-count":50,"publisher":"National Academy of Sciences","issue":"5","content-domain":{"domain":["www.pnas.org"],"crossmark-restriction":true},"short-container-title":["Proc. Natl. Acad. Sci. U.S.A."],"published-print":{"date-parts":[[2001,2,27]]},"abstract":"<jats:p>\n                    The gas phase and aqueous thermochemistry and reactivity of\n nitroxyl (nitrosyl hydride, HNO) were elucidated with\n multiconfigurational self-consistent field and hybrid density\n functional theory calculations and continuum solvation methods. The\n pK\n                    <jats:sub>a<\/jats:sub>\n                    of HNO is predicted to be 7.2 \u00b1 1.0, considerably\n different from the value of 4.7 reported from pulse radiolysis\n experiments. The ground-state triplet nature of NO\n                    <jats:sup>\u2212<\/jats:sup>\n                    affects the rates of acid-base chemistry of the HNO\/NO\n                    <jats:sup>\u2212<\/jats:sup>\n                    couple. HNO is highly reactive toward dimerization and addition of soft\n nucleophiles but is predicted to undergo negligible hydration\n (\n                    <jats:italic>K<\/jats:italic>\n                    <jats:sub>eq<\/jats:sub>\n                    = 6.9 \u00d7 10\n                    <jats:sup>\u22125<\/jats:sup>\n                    ).\n HNO is predicted to exist as a discrete species in solution and is a\n viable participant in the chemical biology of nitric oxide and\n derivatives.\n                  <\/jats:p>","DOI":"10.1073\/pnas.041481598","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T10:36:44Z","timestamp":1027679804000},"page":"2194-2198","update-policy":"https:\/\/doi.org\/10.1073\/pnas.cm10313","source":"Crossref","is-referenced-by-count":154,"title":["On the acidity and reactivity of HNO in aqueous solution and biological systems"],"prefix":"10.1073","volume":"98","author":[{"given":"Michael D.","family":"Bartberger","sequence":"first","affiliation":[{"name":"Department of Chemistry and Biochemistry, University\r of California, Los Angeles, CA 90995-1569; and\r Department of Molecular and Medical Pharmacology, Center\r for the Health Sciences, School of Medicine, University of California,\r Los Angeles, CA 90095-1735"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jon M.","family":"Fukuto","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry, University\r of California, Los Angeles, CA 90995-1569; and\r Department of Molecular and Medical Pharmacology, Center\r for the Health Sciences, School of Medicine, University of California,\r Los Angeles, CA 90095-1735"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"K. 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