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Electrospray Ionization Mass Spectrometry (ESI-MS) as a Useful Tool for Fast Evaluation of Anion and Cation Complexation Abilities of a Cyclam Derivative
Authors:Ignacio Alfonso  Covadonga Astorga  Vicente Gotor
Institution:(1) Departamento de Química Inorgánica y Orgánica , Universidad Jaume I, E-12071 Castellón, Spain;(2) Departamento de Química Orgánica e Inorgánica. Facultad de Química, Universidad de Oviedo, E-33006 Oviedo, Spain
Abstract:Electrospray ionization mass espectrometry (ESI-MS) has been used for the study of a cyclam derivative noncovalent interactions. At acidic pH, diprotonated macrocycle bound to different anionic species were observed. The selectivity shown by competitive experiments is rationalized with the help of semiempirical theoretical calculations. At basic pH, the base peak corresponded to the macrocycle-alkaline metal complexes, and again competition experiments showed different binding strength. Finally, experiments carried out in the presence of transition metal salts allowed the detection of the complexes present in the mixture and revealed their different kinetic behavior.
Keywords:anion coordination  cyclam  electrospray ionization mass spectrometry  macrocycles  metal coordination  supramolecular chemistry
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