Structural determination of Zn and Cd-DTPA complexes: MS, infrared, (13)C NMR and theoretical investigation
| Autor: | Vanézia L. Silva, Matheus P. Freitas, Ruy Carvalho, Walclée de Carvalho Melo, Cláudio F. Tormena |
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| Rok vydání: | 2006 |
| Předmět: |
Magnetic Resonance Spectroscopy
Spectrophotometry Infrared Infrared Analytical chemistry chemistry.chemical_element Zinc Mass spectrometry Vibration Mass Spectrometry Analytical Chemistry chemistry.chemical_compound Singlet state Instrumentation Spectroscopy Carbon Isotopes Carbon-13 NMR Pentetic Acid Nitrogen Atomic and Molecular Physics and Optics Crystallography chemistry Thermodynamics Derivative (chemistry) Stoichiometry Cadmium |
| Zdroj: | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 68(5) |
| ISSN: | 1386-1425 |
| Popis: | The joint application of MS, infrared and 13 C 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 13 C 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 13 C) and to two broad singlets or a broad doublet at 178.3 ppm (complexed carboxylic 13 C, 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. |
| Databáze: | OpenAIRE |
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