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Type: Artigo de periódico
Title: Structural determination of Zn and Cd-DTPA complexes: MS, infrared, C-13 NMR and theoretical investigation
Author: Silva, VL
Carvalho, R
Freitas, MP
Tormena, CF
Melo, WC
Abstract: The joint application of MS, infrared and C-13 NMR techniques for the determination of metal-DTPA structures (metal=Zn and Cd; DTPA=diethylenetriaminepentacetic acid) is reported. Mass spectrometry allowed determining the 1:1 stoichiometry of the complexes, while infrared analysis suggested that both nitrogen and carboxyl groups are sites for complexation. The C-13 NMR spectrum for the cadmium-containing complex evidenced the existence of free and complexed carboxyl groups, due to a straight singlet at 179.0 ppm (free carboxylic C-13) and to two broad singlets or a broad doublet at 178.3 ppm (complexed carboxylic C-13, (2)J(Cd-C(=O)) = 45.2 Hz). A similar interpretation might be given for the zinc derivative and, with the aid of DFT calculations, structures for both complexes were then proposed. (c) 2007 Elsevier B.V. All rights reserved.
Subject: Zn/Cd complexes
C-13 NMR
DFT calculations
Country: Inglaterra
Editor: Pergamon-elsevier Science Ltd
Citation: Spectrochimica Acta Part A-molecular And Biomolecular Spectroscopy. Pergamon-elsevier Science Ltd, v. 68, n. 5, n. 1197, n. 1200, 2007.
Rights: fechado
Identifier DOI: 10.1016/j.saa.2007.01.020
Date Issue: 2007
Appears in Collections:Unicamp - Artigos e Outros Documentos

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