{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,8]],"date-time":"2026-03-08T10:47:22Z","timestamp":1772966842870,"version":"3.50.1"},"reference-count":30,"publisher":"AIP Publishing","issue":"22","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2008,12,14]]},"abstract":"<jats:p>The polarized and depolarized Raman spectra of CO2 have been measured as a function of CO2 concentration (0.02\u20130.7 molar fractions) in the dense phase of the binary mixtures obtained by introducing under pressure (from 0.2 up to 6.0 MPa) supercritical carbon dioxide (at 313 K) in liquid benzene. Four main experimental features are observed. A new weak polarized band centered at approximately 660\u2002cm\u22121 has been detected in the region of the Raman inactive \u03bd2 bending mode of carbon dioxide. The analysis of the polarized band shapes of the Fermi dyad shows that CO2 molecules probe two environments. In one of them carbon dioxide interacts \u201cspecifically\u201d with benzene molecules, whereas in the other it interacts \u201cnonspecifically\u201d with its neighbors. The analysis of the depolarized Fermi dyad profiles shows that the rotational dynamics of CO2 specifically interacting with benzene is strongly hindered. Finally, a new weak polarized band has been detected between the two components of the dyad. These observations rationalized at the light of ab initio calculations show that CO2-benzene transient complexes are formed. It is argued that ab initio predictions, limited here to a pair of molecules, are still valid in dense phase because the elementary act of formation of the transient complex can be probed on the observation time and spatial range of vibrational Raman spectroscopy.<\/jats:p>","DOI":"10.1063\/1.3037025","type":"journal-article","created":{"date-parts":[[2008,12,15]],"date-time":"2008-12-15T15:07:45Z","timestamp":1229353665000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":30,"title":["Raman spectroscopy and <i>ab initio<\/i> investigations of transient complex formation in CO2-benzene mixtures"],"prefix":"10.1063","volume":"129","author":[{"given":"M.","family":"Besnard","sequence":"first","affiliation":[{"name":"Universit\u00e9 Bordeaux 1 1 Institut des Sciences Mol\u00e9culaires, CNRS (UMR 5255), , 351 Cours de la Lib\u00e9ration 33405 Talence Cedex, France"}]},{"given":"M. Isabel","family":"Caba\u00e7o","sequence":"additional","affiliation":[{"name":"Centro de F\u00edsica At\u00f3mica da UL 2 , Av. Prof. Gama Pinto 2, 1694-003 Lisboa Codex, Portugal and Departamento de F\u00edsica, Instituto Superior T\u00e9cnico, , Av. Rovisco Pais, 1049-001 Lisboa, Portugal"},{"name":"UTL 2 , Av. Prof. Gama Pinto 2, 1694-003 Lisboa Codex, Portugal and Departamento de F\u00edsica, Instituto Superior T\u00e9cnico, , Av. Rovisco Pais, 1049-001 Lisboa, Portugal"}]},{"given":"D.","family":"Talaga","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Bordeaux 1 1 Institut des Sciences Mol\u00e9culaires, CNRS (UMR 5255), , 351 Cours de la Lib\u00e9ration 33405 Talence Cedex, France"}]},{"given":"Y.","family":"Danten","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Bordeaux 1 1 Institut des Sciences Mol\u00e9culaires, CNRS (UMR 5255), , 351 Cours de la Lib\u00e9ration 33405 Talence Cedex, France"}]}],"member":"317","published-online":{"date-parts":[[2008,12,12]]},"reference":[{"key":"2023062603595078300_c1","doi-asserted-by":"publisher","first-page":"13371","DOI":"10.1021\/jp0756653","volume":"111","year":"2007","journal-title":"J. Phys. Chem. A"},{"key":"2023062603595078300_c2","doi-asserted-by":"publisher","first-page":"258","DOI":"10.1016\/j.cplett.2005.07.091","volume":"413","year":"2005","journal-title":"Chem. Phys. 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