{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,13]],"date-time":"2026-05-13T12:10:22Z","timestamp":1778674222604,"version":"3.51.4"},"reference-count":40,"publisher":"MDPI AG","issue":"17","license":[{"start":{"date-parts":[[2019,8,26]],"date-time":"2019-08-26T00:00:00Z","timestamp":1566777600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>The main aim of this work is to substantiate the mechanism of 1-propanol oxidation by ozone in aqueous solution when the substrate is present in large excess. Further goals are assessment of the products, their formation yields as well as the kinetic parameters of the considered reaction. The reaction of ozone with 1-propanol in aqueous solution occurs via hydride transfer, H-abstraction and insertion. Of these three mechanisms, the largest share is for hydride transfer. This implies the extraction of an hydride ion from the activated C\u2212H group by O3 according to reaction: (C2H5)(H)(HO)C\u2212H + O3 \u2192 [(C2H5)(H)(HO)C+ + HO3\u2212]cage \u2192 (C2H5)(H)(HO)C+ + HO3\u2212. The experimentally determined products and their overall formation yields with respect to ozone are: propionaldehyde\u2014(60 \u00b1 3)%, propionic acid\u2014(27.4 \u00b1 1.0)%, acetaldehyde\u2014(4.9 \u00b1 0.3)%, acetic acid\u2014(0.3 \u00b1 0.1)%, formaldehyde\u2014(1.0 \u00b1 0.1)%, formic acid\u2014(4.6 \u00b1 0.3)%, hydrogen peroxide\u2014(11.1 \u00b1 0.3)% and hydroxyl radical\u2014(9.8 \u00b1 0.3)%. The reaction of ozone with 1-propanol in aqueous media follows a second order kinetics with a reaction rate constant of (0.64 \u00b1 0.02) M\u22121\u00b7s\u22121 at pH = 7 and 23 \u00b0C. The dependence of the second order rate constant on temperature is described by the equation:     l n \u00a0  k  I I   =  (  27.17 \u00b1 0.38  )  \u2013  (  8180 \u00b1 120  )  \u00d7  T  \u2212 1      , which gives the activation energy, Ea = (68 \u00b1 1) kJ mol\u22121 and pre-exponential factor, A = (6.3 \u00b1 2.4) \u00d7 1011 M\u22121 s\u22121. The nature of products, their yields and the kinetic data can be used in water treatment. The fact that the hydride transfer is the main pathway in the 1-propanol\/ozone system can probably be transferred on other systems in which the substrate is characterized by C\u2212H active sites only.<\/jats:p>","DOI":"10.3390\/ijms20174165","type":"journal-article","created":{"date-parts":[[2019,8,26]],"date-time":"2019-08-26T04:38:23Z","timestamp":1566794303000},"page":"4165","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":8,"title":["Reaction of 1-propanol with Ozone in Aqueous Media"],"prefix":"10.3390","volume":"20","author":[{"given":"Erika","family":"Reisz","sequence":"first","affiliation":[{"name":"Faculty of Industrial Chemistry and Environmental Engineering, University \u201cPolitehnica\u201d of Timi\u015foara Bulevardul Vasile P\u00e2rvan Nr. 6, 300223 Timi\u015foara, Romania"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Agnes","family":"Tekle-R\u00f6ttering","sequence":"additional","affiliation":[{"name":"Westf\u00e4lische Hochschule Gelsenkirchen, Neidenburger Strasse 43, 45877 Gelsenkirchen, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sergej","family":"Naumov","sequence":"additional","affiliation":[{"name":"Leibniz Institut f\u00fcr Oberfl\u00e4chenmodifizierung (IOM), Permoserstrasse 15, 04318 Leipzig, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Winfried","family":"Schmidt","sequence":"additional","affiliation":[{"name":"Westf\u00e4lische Hochschule Gelsenkirchen, Neidenburger Strasse 43, 45877 Gelsenkirchen, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1107-4403","authenticated-orcid":false,"given":"Torsten C.","family":"Schmidt","sequence":"additional","affiliation":[{"name":"Universit\u00e4t \u201cDuisburg-Essen, Instrumentelle Analytische Chemie und Zentrum f\u00fcr Wasser- und Umweltforschung, Universit\u00e4tsstrasse 5, 45117 Essen, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2019,8,26]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"173","DOI":"10.1016\/0043-1354(83)90098-2","article-title":"Rate constants of reactions of ozone with organic and inorganic compounds in water\u2014I. 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