An infrared and raman spectroscopic study of crystalline trans-crotonic acid
Identifieur interne : 002A05 ( Istex/Corpus ); précédent : 002A04; suivant : 002A06An infrared and raman spectroscopic study of crystalline trans-crotonic acid
Auteurs : Rui FaustoSource :
- Journal of Molecular Structure [ 0022-2860 ] ; 1995.
Abstract
Trans-crotonic acid was studied by FT-IR and Raman spectroscopies. A detailed assignment of the vibrational spectra in the crystalline phase (where dimeric units exist) is reported and discussed in comparison with that of the monomer isolated in a low temperature argon matrix. Results of molecular orbital calculations (semiempirical AM1 and ab initio 6–31G∗) on both monomeric and dimeric trans-crotonic acid are also presented and used to help the interpretation of the spectroscopic data.
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DOI: 10.1016/0022-2860(95)09119-X
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A detailed assignment of the vibrational spectra in the crystalline phase (where dimeric units exist) is reported and discussed in comparison with that of the monomer isolated in a low temperature argon matrix. 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Results of molecular orbital calculations (semiempirical AM1 and ab initio 6–31G∗) on both monomeric and dimeric trans-crotonic acid are also presented and used to help the interpretation of the spectroscopic data.</p></abstract><textClass><keywords scheme="keyword"><list><head>Keywords</head><item><term>Trans-crotonic acid</term></item><item><term>Molecular structure</term></item><item><term>Infrared spectrum</term></item><item><term>Raman spectrum</term></item><item><term>Molecular orbital calculations</term></item></list></keywords></textClass></profileDesc><revisionDesc><change when="1995-09-08">Registration</change><change when="1995">Published</change></revisionDesc></teiHeader></istex:fulltextTEI><json:item><original>false</original><mimetype>text/plain</mimetype><extension>txt</extension><uri>https://api.istex.fr/document/0C79D304BBBFCD4E1530FD076D2F68A756E6CFAD/fulltext/txt</uri></json:item></fulltext><metadata><istex:metadataXml wicri:clean="Elsevier, elements deleted: tail"><istex:xmlDeclaration>version="1.0" encoding="utf-8"</istex:xmlDeclaration><istex:docType PUBLIC="-//ES//DTD journal article DTD version 4.5.2//EN//XML" URI="art452.dtd" name="istex:docType"></istex:docType><istex:document><converted-article version="4.5.2" docsubtype="fla"><item-info><jid>MOLSTR</jid><aid>9509119X</aid><ce:pii>0022-2860(95)09119-X</ce:pii><ce:doi>10.1016/0022-2860(95)09119-X</ce:doi><ce:copyright type="unknown" year="1996"></ce:copyright></item-info><head><ce:title>An infrared and raman spectroscopic study of crystalline trans-crotonic acid</ce:title><ce:author-group><ce:author><ce:given-name>Rui</ce:given-name><ce:surname>Fausto</ce:surname></ce:author><ce:affiliation><ce:textfn>Departamento de Quimica, Universidade de Coimbra, P-3049 Coimbra, Portugal</ce:textfn></ce:affiliation></ce:author-group><ce:date-received day="21" month="6" year="1995"></ce:date-received><ce:date-accepted day="8" month="9" year="1995"></ce:date-accepted><ce:abstract><ce:section-title>Abstract</ce:section-title><ce:abstract-sec><ce:simple-para>Trans-crotonic acid was studied by FT-IR and Raman spectroscopies. A detailed assignment of the vibrational spectra in the crystalline phase (where dimeric units exist) is reported and discussed in comparison with that of the monomer isolated in a low temperature argon matrix. 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A detailed assignment of the vibrational spectra in the crystalline phase (where dimeric units exist) is reported and discussed in comparison with that of the monomer isolated in a low temperature argon matrix. Results of molecular orbital calculations (semiempirical AM1 and ab initio 6–31G∗) on both monomeric and dimeric trans-crotonic acid are also presented and used to help the interpretation of the spectroscopic data.</abstract><subject><genre>Keywords</genre><topic>Trans-crotonic acid</topic><topic>Molecular structure</topic><topic>Infrared spectrum</topic><topic>Raman spectrum</topic><topic>Molecular orbital calculations</topic></subject><relatedItem type="host"><titleInfo><title>Journal of Molecular Structure</title></titleInfo><titleInfo type="abbreviated"><title>MOLSTR</title></titleInfo><originInfo><dateIssued encoding="w3cdtf">19960331</dateIssued></originInfo><identifier type="ISSN">0022-2860</identifier><identifier type="PII">S0022-2860(00)X0008-7</identifier><part><date>19960331</date><detail type="volume"><number>377</number><caption>vol.</caption></detail><detail type="issue"><number>2</number><caption>no.</caption></detail><extent unit="issue pages"><start>101</start><end>200</end></extent><extent unit="pages"><start>181</start><end>192</end></extent></part></relatedItem><identifier type="istex">0C79D304BBBFCD4E1530FD076D2F68A756E6CFAD</identifier><identifier type="DOI">10.1016/0022-2860(95)09119-X</identifier><identifier type="PII">0022-2860(95)09119-X</identifier><recordInfo><recordOrigin>ELSEVIER</recordOrigin></recordInfo></mods></metadata><enrichments><istex:catWosTEI uri="https://api.istex.fr/document/0C79D304BBBFCD4E1530FD076D2F68A756E6CFAD/enrichments/catWos"><teiHeader><profileDesc><textClass><classCode scheme="WOS">CHEMISTRY, PHYSICAL</classCode></textClass></profileDesc></teiHeader></istex:catWosTEI></enrichments><serie></serie></istex></record>Pour manipuler ce document sous Unix (Dilib)
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