Ab initio study and NMR analysis of the complexion of citric acid with ion lithium

dc.contributorUniversidade Estadual Paulista (Unesp)
dc.contributorUniversidade Federal de São Carlos (UFSCar)
dc.date.accessioned2014-05-20T13:26:29Z
dc.date.available2014-05-20T13:26:29Z
dc.date.created2014-05-20T13:26:29Z
dc.date.issued1999-12-15
dc.identifierJournal of Molecular Structure-theochem. Amsterdam: Elsevier B.V., v. 493, p. 309-318, 1999.
dc.identifier0166-1280
dc.identifierhttp://hdl.handle.net/11449/8540
dc.identifier10.1016/S0166-1280(99)00268-7
dc.identifierWOS:000084639500034
dc.identifier6284168579617066
dc.description.abstractQuantum mechanics calculations at the ab initio HF/3-21G* level were carried out with Nuclear Magnetic Resonance (NMR) measurements to characterize citric acid and lithium interactions. The results indicate the formation of a tridentate organometallic compound with one lithium and one citric acid molecule and a tridentate and bidentate compound of two lithium atoms and one citric acid molecule. The results are in agreement with the experimental and theoretical data. (C) 1999 Elsevier B.V. B.V. All rights reserved.
dc.languageeng
dc.publisherElsevier B.V.
dc.relationJournal of Molecular Structure: THEOCHEM
dc.rightsAcesso restrito
dc.sourceWeb of Science
dc.subjectab initio
dc.subjectcitric acid
dc.subjectlithium
dc.subjectpolymerization
dc.subjectorganometallic
dc.titleAb initio study and NMR analysis of the complexion of citric acid with ion lithium
dc.typeArtículos de revistas


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