{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,14]],"date-time":"2026-05-14T11:12:48Z","timestamp":1778757168889,"version":"3.51.4"},"reference-count":96,"publisher":"Wiley","issue":"4","license":[{"start":{"date-parts":[[2024,3,15]],"date-time":"2024-03-15T00:00:00Z","timestamp":1710460800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/4.0\/"}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["J Mass Spectrom"],"published-print":{"date-parts":[[2024,4]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The recent accurate and precise determination of the electron affinity (<jats:italic>EA<\/jats:italic>) of the astatine atom At<jats:sup>0<\/jats:sup> warrants a re\u2010investigation of the estimated thermodynamic properties of At<jats:sup>0<\/jats:sup> and astatine containing molecules as this <jats:italic>EA<\/jats:italic> was found to be much lower (by 0.4\u2009eV) than previous estimated values. In this contribution we estimate, from available data sources, the following thermodynamic and physicochemical properties of the alkali astatides (MAt, M\u2009=\u2009Li, Na, K, Rb, Cs): their solid and gaseous heats of formation, lattice and gas\u2010phase binding enthalpies, sublimation energies and melting temperatures. Gas\u2010phase charge\u2010transfer dissociation energies for the alkali astatides (the energy requirement for M<jats:sup>+<\/jats:sup>At<jats:sup>\u2212<\/jats:sup> \u2794 M<jats:sup>0<\/jats:sup>\u2009+\u2009At<jats:sup>0<\/jats:sup>) have been obtained and are compared with those for the other alkali halides. Use of Born\u2010Haber cycles together with the new <jats:italic>AE<\/jats:italic> (At<jats:sup>0<\/jats:sup>) value allows the re\u2010evaluation of \u0394<jats:italic>H<\/jats:italic><jats:sub><jats:italic>f<\/jats:italic><\/jats:sub> (At<jats:sup>0<\/jats:sup>)<jats:sub>g<\/jats:sub> (=56\u2009\u00b1\u20095\u2009kJ\/mol); it is concluded that (At<jats:sub>2<\/jats:sub>)<jats:sub>g<\/jats:sub> is a weakly bonded species (bond strength &lt;50\u2009kJ\/mol), significantly weaker bonded than previously estimated (116\u2009kJ\/mol) and much weaker bonded than I<jats:sub>2<\/jats:sub> (148\u2009kJ\/mol), but in agreement with the finding from theory that spin\u2010orbit coupling considerably reduces the bond strength in At<jats:sub>2<\/jats:sub>. The hydration enthalpy (\u0394<jats:italic>H<\/jats:italic><jats:sub><jats:italic>aq<\/jats:italic><\/jats:sub>) of At<jats:sup>\u2212<\/jats:sup> is estimated to be \u2212230\u2009\u00b1\u20092\u2009kJ\/mol (using \u0394<jats:italic>H<\/jats:italic><jats:sub><jats:italic>aq<\/jats:italic><\/jats:sub>[H<jats:sup>+<\/jats:sup>] =\u2009\u22121150.1\u2009kJ\/mol), in good agreement with molecular dynamics calculations. Arguments are presented that the largest alkali halide, CsAt, like the smallest, LiF, will be only sparingly soluble in water, following the generalization from hard\/soft acid\/base principles that \u201csmall likes small\u201d and \u201clarge likes large.\u201d<\/jats:p>","DOI":"10.1002\/jms.5010","type":"journal-article","created":{"date-parts":[[2024,3,16]],"date-time":"2024-03-16T02:32:43Z","timestamp":1710556363000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Estimation of thermodynamic and physicochemical properties of the alkali astatides: On the bond strength of molecular astatine (At<sub>2<\/sub>) and the hydration enthalpy of astatide (At<sup>\u2212<\/sup>)"],"prefix":"10.1002","volume":"59","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3418-8438","authenticated-orcid":false,"given":"Peter C.","family":"Burgers","sequence":"first","affiliation":[{"name":"Department of Neurology, Laboratory of 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