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dc.creatorFoces Foces, Concepciónes
dc.creatorLlamas Saiz, Antonio L.-
dc.creatorFernández Castaño, Cristina-
dc.creatorClaramunt, Rosa María-
dc.creatorEscolástico, Consuelo-
dc.creatorLavandera Díaz, José Luis-
dc.creatorSanta María, María Dolores-
dc.creatorJimeno, María Luisa-
dc.creatorElguero, José-
dc.date1997es
dc.date.accessioned2013-10-29T05:00:30Z-
dc.date.available2013-10-29T05:00:30Z-
dc.date.issued1997-10-29-
dc.identifier000000580670es
dc.identifier.urihttp://hdl.handle.net/10637/5521-
dc.descriptionEn: Journal of the Chemical Society, Perkin Transactions, 2. ISSN 1472-7781. 1997, págs 2173-2177es
dc.description.abstractThe stability of all possible conformers of hexa(pyrazol-1-yl)benzene [(pz)6bz], hexakis(3,5-dimethylpyrazol-1-yl)benzene [(dmpz)6bz], 1,2,4,5-tetra(pyrazol-1-yl)-3,6-bis(3,5-dimethylpyrazol-1-yl)benzene [(pz)4(dmpz)2bz] and 1,4-di(pyrazol-1-yl)-2,3,5,6-tetrakis(3,5-dimethylpyrazol-1-yl)benzene [(pz)2- (dmpz)4bz] has been determined by semiempirical AM1 calculations. In all series the absolute minimum corresponds to the conformation where the nitrogen lone pair of consecutive pyrazole rings is alternatively oriented to opposite sides of the benzene plane. The case of (pz)2(dmpz)4bz has been studied by 1 H NMR studies in solution. Three isomers have been identified and all the signals assigned. The slow evolution to other isomers from those found in the solid state has been followed by 1 H NMR spectroscopy thus allowing determination of the barrier to rotation of a (dmpz) substituent (ÄG‡ = 21–22 kcal mol21 ).en_EN
dc.formatapplication/pdfes
dc.language.isoenes
dc.relationWe thank the CICYT (Spain) for financial support (project numbers PB93-0125 and PB93-0197-C02).en_EN
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/4.0/deed.eses
dc.subjectCompuestos heterocíclicos.es
dc.titleAromatic propellenes, part. 8 : semiempirical calculations and DNMR studies of hexakis (pyrazol-1-yl) benzeneses
dc.typeArtículoes
europeana.dataProviderUNIVERSIDAD SAN PABLO CEU-
europeana.isShownAthttp://hdl.handle.net/10637/5521-
europeana.objecthttp://repositorioinstitucional.ceu.es/visor/libros/580670/thumb_europeana/580670.jpg-
europeana.providerHispana-
europeana.rightshttp://creativecommons.org/publicdomain/zero/1.0/-
europeana.typeTEXT-
dc.centroUniversidad San Pablo-CEU-
Aparece en las colecciones: Medicina




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