{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,24]],"date-time":"2025-10-24T12:52:52Z","timestamp":1761310372514,"version":"3.41.2"},"reference-count":35,"publisher":"AIP Publishing","issue":"9","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2006,9,7]]},"abstract":"<jats:p>The near and midinfrared spectra of 1-octanol (and 2-octanol) have been measured along the liquid-gas coexistence curve from room temperature up to the critical point and in the supercritical domain along the isotherm T=385\u00b0C (and T=365\u00b0C) above the critical point of both 1-octanol and 2-octanol for pressure ranging from 0.5 up to 15MPa. The density values of SC 1- and 2-octanol have been estimated by analysing the near infrared (NIR) spectra in the 3\u03bda(CH) region. A quantitative analysis of the absorption band associated with the OH stretching vibration [\u03bd(OH)] and its first and second overtones [2\u03bd(OH) and 3\u03bd(OH)] was carried out in order to estimate the percentage of \u201cfree\u201d OH groups in both alcohols in the whole thermodynamic domain investigated here. Very consistent results have been obtained from the independent analysis of these three different absorption bands which gave us a good confidence in the degree of hydrogen bonding reported here for 1- and 2-octanol. Thus, the percentage of free OH groups which is around 5% in liquid 1-octanol under ambient conditions strongly increase up to 70%\u201380% at a temperature of about 340\u00b0C. Then, in the supercritical domain, upon a decrease of the density from 0.4to0.1gcm\u22123, the fraction of free hydroxyl groups is nearly constant presenting a plateaulike regime around 80%. As the density decreases again, this plateau regime is followed by a further increase of Xnb which reaches a value of 96% for the system in the gaseous phase (0.01gcm\u22123; P=0.45MPa). Finally, it comes out from this study that the percentage of free OH groups is always greater in 2-octanol than in 1-octanol at the same density.<\/jats:p>","DOI":"10.1063\/1.2336424","type":"journal-article","created":{"date-parts":[[2006,9,5]],"date-time":"2006-09-05T22:14:08Z","timestamp":1157494448000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":23,"title":["Hydrogen bonding in liquid and supercritical 1-octanol and 2-octanol assessed by near and midinfrared spectroscopy"],"prefix":"10.1063","volume":"125","author":[{"given":"F.","family":"Palombo","sequence":"first","affiliation":[{"name":"Universit\u00e9 Bordeaux I Laboratoire de Physico-Chimie Mol\u00e9culaire, CNRS (UMR 5803), , 351 Cours de Ia Liberation, 33405 Talence Cedex, France and Dipartimento di Chimica, Sezione di Chimica Fisica, , Via Elce di Sotto 8, 06100 Perugia, Italy"},{"name":"Universit\u00e1 di Perugia Laboratoire de Physico-Chimie Mol\u00e9culaire, CNRS (UMR 5803), , 351 Cours de Ia Liberation, 33405 Talence Cedex, France and Dipartimento di Chimica, Sezione di Chimica Fisica, , Via Elce di Sotto 8, 06100 Perugia, Italy"}]},{"given":"T.","family":"Tassaing","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Bordeaux I Laboratoire de Physico-Chimie Mol\u00e9culaire, CNRS (UMR 5803), , 351 Cours de Ia Liberation, 33405 Talence Cedex, France"}]},{"given":"Y.","family":"Danten","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Bordeaux I Laboratoire de Physico-Chimie Mol\u00e9culaire, CNRS (UMR 5803), , 351 Cours de Ia Liberation, 33405 Talence Cedex, France"}]},{"given":"M.","family":"Besnard","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Bordeaux I Laboratoire de Physico-Chimie Mol\u00e9culaire, CNRS (UMR 5803), , 351 Cours de Ia Liberation, 33405 Talence Cedex, France"}]}],"member":"317","published-online":{"date-parts":[[2006,9,5]]},"reference":[{"volume-title":"Hydrogen Bonding","year":"1974","key":"2023062603554311500_c1a"},{"volume-title":"The Hydrogen Bond","year":"1960","key":"2023062603554311500_c1b"},{"key":"2023062603554311500_c2","doi-asserted-by":"publisher","first-page":"1161","DOI":"10.1021\/jp982559f","volume":"103","year":"1999","journal-title":"J. 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