Mostrar el registro sencillo del ítem
dc.contributor.author | López Alonso, Juan Carlos | |
dc.contributor.author | Macario Farto, Alberto | |
dc.contributor.author | Blanco Rodríguez, Susana | |
dc.date.accessioned | 2021-04-22T15:46:01Z | |
dc.date.available | 2021-04-22T15:46:01Z | |
dc.date.issued | 2019 | |
dc.identifier.citation | Physical Chemistry Chemical Physics, 2019, 21, 6844-6850 | es |
dc.identifier.issn | 1463-9076 | es |
dc.identifier.uri | http://uvadoc.uva.es/handle/10324/46359 | |
dc.description.abstract | The conformation of ortho-anisic acid and its monohydrated clusters generated in a supersonic jet has been studied by rotational spectroscopy to analyze the structural implications of ortho substitution. The dominant monomer species shows a trans-COOH arrangement stabilized by an intramolecular O–H...O hydrogen bond from the acid to the methoxy group. The spectra of two non-planar skeleton monomer forms with a cis-COOH arrangement have also been detected. A tunneling doublet has been observed for the most stable cis-COOH conformer. The periodic potential energy function for the COOH internal rotation connecting these cis forms has been estimated from the experimental data. For the first time a water complex with an acid in a trans-COOH configuration has been observed. This is more abundant than the other weak form observed for the complex, characterized by a cis-COOH arrangement. The observation of the rotational spectra of salicylic acid, methyl salicylate and methyl 2-methoxybenzoate, formed upon heating of ortho-anisic acid, gives additional interest in the chemistry of ortho substituted benzoic acids. | es |
dc.format.mimetype | application/pdf | es |
dc.language.iso | spa | es |
dc.publisher | Royal Society of Chemistry | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.subject | Espectroscopía de rotación | es |
dc.subject | Quimica | es |
dc.subject | Quimica Fisica | es |
dc.subject.classification | Acido orto-anisico | es |
dc.subject.classification | Water cluster | es |
dc.subject.classification | rotational spectroscopy | es |
dc.subject.classification | structure | es |
dc.subject.classification | microsolvation | es |
dc.subject.classification | hydrogen bond | es |
dc.subject.classification | conformationla equilibria | es |
dc.title | Conformational equilibria in o-anisic acid and its monohydrated complex: the prevalence of the trans-COOH form | es |
dc.type | info:eu-repo/semantics/article | es |
dc.rights.holder | Royal Society of Chemistry | es |
dc.identifier.doi | 10.1039/c9cp00552h | es |
dc.relation.publisherversion | https://pubs.rsc.org/en/content/articlelanding/2019/cp/c9cp00552h#!divAbstract | es |
dc.identifier.publicationfirstpage | 6844 | es |
dc.identifier.publicationissue | 13 | es |
dc.identifier.publicationlastpage | 6850 | es |
dc.identifier.publicationtitle | Physical Chemistry Chemical Physics | es |
dc.identifier.publicationvolume | 21 | es |
dc.peerreviewed | SI | es |
dc.description.project | Ministerio de economia, industria y competitividad CTQ2016-75253-P | es |
dc.identifier.essn | 1463-9084 | es |
dc.type.hasVersion | info:eu-repo/semantics/draft | es |
dc.subject.unesco | 23 Química | es |
dc.subject.unesco | 2301.13 Espectroscopia de Microondas | es |
dc.subject.unesco | 2307 Química Física | es |