{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,20]],"date-time":"2025-10-20T00:31:11Z","timestamp":1760920271116,"version":"build-2065373602"},"reference-count":13,"publisher":"Wiley","issue":"12","license":[{"start":{"date-parts":[[2005,4,14]],"date-time":"2005-04-14T00:00:00Z","timestamp":1113436800000},"content-version":"vor","delay-in-days":3422,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Raman Spectroscopy"],"published-print":{"date-parts":[[1995,12]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>The Raman spectra of liquid 3\u2010methylstyrene show pairs of bands whose temperature\u2010dependent intensities clearly suggest the occurrence of a conformational equilibrium. From these bands, assigned to <jats:italic>cis<\/jats:italic> and <jats:italic>trans<\/jats:italic> conformers, a <jats:italic>trans\u2010cis<\/jats:italic> energy difference of 0.8 + 0.2 kJ mol<jats:sup>\u22121<\/jats:sup> was obtained for the liquid phase. On the other hand, <jats:italic>ab initio<\/jats:italic> calculations at the 3\u201021G<jats:sup>**<\/jats:sup> and MP2\/3\u201021G* levels predict a <jats:italic>cis<\/jats:italic> form more stable than the <jats:italic>trans<\/jats:italic> form by less than 0.15 kJ mol<jats:sup>\u22121<\/jats:sup>, in good agreement with gas\u2010phase literature results.<\/jats:p>","DOI":"10.1002\/jrs.1250261203","type":"journal-article","created":{"date-parts":[[2005,5,28]],"date-time":"2005-05-28T16:06:47Z","timestamp":1117296407000},"page":"1033-1037","source":"Crossref","is-referenced-by-count":5,"title":["Conformational equilibria for 3\u2010methylstyrene: Raman and FTIR spectra and <i>ab initio<\/i> calculations"],"prefix":"10.1002","volume":"26","author":[{"given":"I.","family":"Meurisse","sequence":"first","affiliation":[]},{"given":"P. J. A.","family":"Ribeiro\u2010Claro","sequence":"additional","affiliation":[]},{"given":"J. J. C.","family":"Teixeira\u2010Dias","sequence":"additional","affiliation":[]},{"given":"C.","family":"Pouchan","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2005,4,14]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1002\/jrs.1250250511"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1002\/jrs.1250240702"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1007\/BF00671807"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1366\/000370268774383912"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1039\/ft9918703585"},{"key":"e_1_2_1_7_2","first-page":"11","volume":"46","author":"Ribeiro\u2010Claro P. J. A.","year":"1990","journal-title":"Spectrochim. Acta, Part A"},{"volume-title":"Gaussian 92, Revision C","year":"1992","author":"Frisch M. J.","key":"e_1_2_1_8_2"},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00523a008"},{"key":"e_1_2_1_9_3","doi-asserted-by":"publisher","DOI":"10.1021\/ja00374a017"},{"key":"e_1_2_1_9_4","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.46.618"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(89)80037-5"},{"key":"e_1_2_1_11_2","doi-asserted-by":"crossref","first-page":"239","DOI":"10.1063\/1.1932193","volume":"14","author":"Mulliken R. S.","year":"1946","journal-title":"J. Chem. Phys."},{"key":"e_1_2_1_12_2","doi-asserted-by":"publisher","DOI":"10.1002\/jrs.1250250721"}],"container-title":["Journal of Raman Spectroscopy"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjrs.1250261203","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jrs.1250261203","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,19]],"date-time":"2025-10-19T11:13:10Z","timestamp":1760872390000},"score":1,"resource":{"primary":{"URL":"https:\/\/analyticalsciencejournals.onlinelibrary.wiley.com\/doi\/10.1002\/jrs.1250261203"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1995,12]]},"references-count":13,"journal-issue":{"issue":"12","published-print":{"date-parts":[[1995,12]]}},"alternative-id":["10.1002\/jrs.1250261203"],"URL":"https:\/\/doi.org\/10.1002\/jrs.1250261203","archive":["Portico"],"relation":{},"ISSN":["0377-0486","1097-4555"],"issn-type":[{"type":"print","value":"0377-0486"},{"type":"electronic","value":"1097-4555"}],"subject":[],"published":{"date-parts":[[1995,12]]}}}