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dc.contributor.CRUESPUniversidade Estadual de Campinaspt_BR
dc.typeArtigo de periódicopt_BR
dc.titleEmpirical correlations involving calorimetric, thermogravimetric and infrared data for zinc halides adductspt_BR
dc.contributor.authorde Farias, RFpt_BR
dc.contributor.authorAiroldi, Cpt_BR
dc.contributor.authorScatena, Hpt_BR
unicamp.authorUniv Fed Roraima, UFRR, Dept Quim, BR-69301970 Boa Vista, Roraima, Brazil Univ Estadual Campinas, Inst Quim, BR-13083970 Campinas, SP, Brazil Univ Fed Rio Grande Norte, Dept Quim, BR-59078970 Natal, RN, Brazilpt_BR
dc.subjectzinc adductspt_BR
dc.subjectemprirical correlationspt_BR
dc.subjectcalorimetrypt_BR
dc.subjectinfrared spectroscopypt_BR
dc.subject.wosMercury Halidespt_BR
dc.subject.wosCoordination-compoundspt_BR
dc.subject.wosThermochemical Datapt_BR
dc.subject.wosDsc Datapt_BR
dc.subject.wosCadmiumpt_BR
dc.subject.wosComplexespt_BR
dc.subject.wosEnthalpypt_BR
dc.subject.wosBrpt_BR
dc.description.abstractThe use of the non-isothermal Coats-Redfern method to obtain the activation energy values for the processes ZnX2.2hmpa(c) --> ZnX2(C) + 2hmpa(g) (X = Cl, Br, I and hmpa = hexamethylphosphoramide), by using thermogravimetric data, gave the values 44; 94 and 215 U mol(-1) for the given sequence of halides, These values correlated to the standard molar enthalpy of formation in the condensed phase for the same sequence of adducts: -1596, -1532 and -1408 kJ mol(-1), respectively, providing the equation: DeltafH(mdegrees) = 1.086 x E-a - 1639.738, which shows a linear correlation between the thermodynamic and kinetic parameters for such solid adducts. The IR spectroscopy data for a series of adducts of zinc halides with amides enabled the acquisition of an equation to estimate the mean metal-ligand bond enthalpy <D>(M-L) values: the spectroscopic data were adjusted to the expression <D>(M-L) = alpha + beta + Delta(v), where alpha and beta are related to Lewis acidity and basicity coordination features, respectively, and Deltav is the difference between C=O or P=O stretching vibrations of the coordinated and uncoordinated ligands. This equation was applied for 15 adducts, showing a deviation less than 10% from the thermochemical values. (C) 2002 Published by Elsevier Science Ltd.pt
dc.relation.ispartofPolyhedronpt_BR
dc.relation.ispartofabbreviationPolyhedronpt_BR
dc.publisher.cityOxfordpt_BR
dc.publisher.countryInglaterrapt_BR
dc.publisherPergamon-elsevier Science Ltdpt_BR
dc.date.issued2002pt_BR
dc.date.monthofcirculation42186pt_BR
dc.identifier.citationPolyhedron. Pergamon-elsevier Science Ltd, v. 21, n. 17, n. 1677, n. 1681, 2002.pt_BR
dc.language.isoenpt_BR
dc.description.volume21pt_BR
dc.description.issuenumber17pt_BR
dc.description.firstpage1677pt_BR
dc.description.lastpage1681pt_BR
dc.rightsfechadopt_BR
dc.rights.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policypt_BR
dc.sourceWeb of Sciencept_BR
dc.identifier.issn0277-5387pt_BR
dc.identifier.wosidWOS:000177222600001pt_BR
dc.identifier.doi10.1016/S0277-5387(02)00982-8pt_BR
dc.date.available2014-11-20T07:00:13Z
dc.date.available2015-11-26T16:08:24Z-
dc.date.accessioned2014-11-20T07:00:13Z
dc.date.accessioned2015-11-26T16:08:24Z-
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dc.description.provenanceMade available in DSpace on 2015-11-26T16:08:24Z (GMT). No. of bitstreams: 2 WOS000177222600001.pdf: 122265 bytes, checksum: a8aeea41885a02b6cf1765a90e31a054 (MD5) WOS000177222600001.pdf.txt: 18989 bytes, checksum: 5b6f61f15d914e69bb26d96222306446 (MD5) Previous issue date: 2002en
dc.identifier.urihttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/64701pt_BR
dc.identifier.urihttp://www.repositorio.unicamp.br/handle/REPOSIP/64701
dc.identifier.urihttp://repositorio.unicamp.br/jspui/handle/REPOSIP/64701-
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