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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Chemical and spectroscopic characterizations, ESI-QTOF mass spectrometric measurements and DFT studies of new complexes of palladium(II) with tryptamine and mefenamic acid

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Author(s):
Carvalho, Marcos A. [1] ; Arruda, Eduardo G. R. [1] ; Profirio, Daniel M. [1] ; Gomes, Alexandre F. [1] ; Gozzo, Fabio C. [1] ; Formiga, Andre L. B. [1] ; Corbi, Pedro P. [1]
Total Authors: 7
Affiliation:
[1] Univ Campinas UNICAMP, Inst Chem, BR-13083970 Campinas, SP - Brazil
Total Affiliations: 1
Document type: Journal article
Source: Journal of Molecular Structure; v. 1100, p. 6-13, NOV 15 2015.
Web of Science Citations: 8
Abstract

New palladium(II) complexes with tryptamine (Pd-tra) and mefenamic acid (Pd-mef) were prepared and characterized by chemical and spectroscopic methods. Elemental, ESI-QTOF mass spectrometric and thermogravimetric analyses of the compounds confirm the composition {[}PdCl2(tra)(2)] for Pd-tra and {[}Pd(mef)(2)(bipy)] for Pd-mef. Infrared data indicate the coordination of tryptamine to Pd(II) by the nitrogen atom of the amino group, while for mefenamic acid coordination occurs by the oxygen atom of carboxylate group in a monodentate form. The H-1, C-13 and [N-15,H-1] NMR spectroscopic data confirm the nitrogen coordination of the NH2 group of trypatmine to Pd(II) in the Pd-tra complex and also the oxygen coordination of the carboxylate group of mefenamic acid to Pd(II) in the Pd-mef complex. Density functional theory (DFT) studies were applied to determine the difference in energy between the geometric isomers (cis/trans) of Pd-tra and to optimize the structure of the Pd-mef complex. Raman spectroscopic measurements reinforce the nitrogen coordination of tryptamine to Pd(II) in the Pd-tra complex and confirms the presence of the cis-{[}PdCl2(tra)(2)] isomer in the solid state. The complexes are insoluble in water. (C) 2015 Elsevier B.V. All rights reserved. (AU)

FAPESP's process: 12/08230-2 - Synthesis, characterization and pharmacological studies of Ag(I), Au(I), Pt(II) and Pd(II) complexes with bioactive ligands
Grantee:Pedro Paulo Corbi
Support Opportunities: Regular Research Grants