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Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/8540
Title: 
Ab initio study and NMR analysis of the complexion of citric acid with ion lithium
Author(s): 
Institution: 
  • Universidade Estadual Paulista (UNESP)
  • Universidade Federal de São Carlos (UFSCar)
ISSN: 
0166-1280
Abstract: 
Quantum 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.
Issue Date: 
15-Dec-1999
Citation: 
Journal of Molecular Structure-theochem. Amsterdam: Elsevier B.V., v. 493, p. 309-318, 1999.
Time Duration: 
309-318
Publisher: 
Elsevier B.V.
Keywords: 
  • ab initio
  • citric acid
  • lithium
  • polymerization
  • organometallic
Source: 
http://dx.doi.org/10.1016/S0166-1280(99)00268-7
URI: 
Access Rights: 
Acesso restrito
Type: 
outro
Source:
http://repositorio.unesp.br/handle/11449/8540
Appears in Collections:Artigos, TCCs, Teses e Dissertações da Unesp

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