Water-soluble (Pterin)rhenium(I) complex: Synthesis, structural characterization, and two reversible protonation-deprotonation behavior in aqueous solutions

A new water-soluble complex, Re(CO) 3(pterin)(H 2O), was synthesized and characterized by 1H NMR and FTIR spectroscopy, and by a combination of three mass spectrometry techniques: MALDI, probe electrospray ionisation (PESI), and ESI. Because, unlike most metal-pterin complexes, the Re I complex is q...

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Autores principales: Ragone, F., Ruiz, G.T., Piro, O.E., Echeverría, G.A., Cabrerizo, F.M., Petroselli, G., Erra-Balsells, R., Hiraoka, K., García Einschlag, F.S., Wolcan, E.
Formato: JOUR
Materias:
Acidity
N,O ligands
Pterin
Rhenium
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_14341948_v_n30_p4801_Ragone
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling todo:paper_14341948_v_n30_p4801_Ragone2023-10-03T16:14:23Z Water-soluble (Pterin)rhenium(I) complex: Synthesis, structural characterization, and two reversible protonation-deprotonation behavior in aqueous solutions Ragone, F. Ruiz, G.T. Piro, O.E. Echeverría, G.A. Cabrerizo, F.M. Petroselli, G. Erra-Balsells, R. Hiraoka, K. García Einschlag, F.S. Wolcan, E. Acidity N,O ligands Pterin Rhenium A new water-soluble complex, Re(CO) 3(pterin)(H 2O), was synthesized and characterized by 1H NMR and FTIR spectroscopy, and by a combination of three mass spectrometry techniques: MALDI, probe electrospray ionisation (PESI), and ESI. Because, unlike most metal-pterin complexes, the Re I complex is quite soluble in water, appropriate single crystals could be obtained for structural X-ray analysis. We report here the first solid state molecular structure containing a pterin ligand coordinated to the Re(CO) 3 core. This determination revealed that strong H bonds between the hydrogen atom of the 2-amino group and crystallization water molecules give rise to a polymeric arrangement of Re(CO) 3(pterin) (H 2O) complexes in the lattice. Protonation studies in aqueous solutions of the Re I complex showed two acid-base equilibriums with pK a1 = 3.9 and pK a2 = 8.8. pK a1 was assigned to the protonation equilibrium at N3 of the pterin ligand in the complex and pK a2 could be ascribed to the deprotonation of a coordinated water molecule. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_14341948_v_n30_p4801_Ragone
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Acidity
N,O ligands
Pterin
Rhenium
spellingShingle Acidity
N,O ligands
Pterin
Rhenium
Ragone, F.
Ruiz, G.T.
Piro, O.E.
Echeverría, G.A.
Cabrerizo, F.M.
Petroselli, G.
Erra-Balsells, R.
Hiraoka, K.
García Einschlag, F.S.
Wolcan, E.
Water-soluble (Pterin)rhenium(I) complex: Synthesis, structural characterization, and two reversible protonation-deprotonation behavior in aqueous solutions
topic_facet Acidity
N,O ligands
Pterin
Rhenium
description A new water-soluble complex, Re(CO) 3(pterin)(H 2O), was synthesized and characterized by 1H NMR and FTIR spectroscopy, and by a combination of three mass spectrometry techniques: MALDI, probe electrospray ionisation (PESI), and ESI. Because, unlike most metal-pterin complexes, the Re I complex is quite soluble in water, appropriate single crystals could be obtained for structural X-ray analysis. We report here the first solid state molecular structure containing a pterin ligand coordinated to the Re(CO) 3 core. This determination revealed that strong H bonds between the hydrogen atom of the 2-amino group and crystallization water molecules give rise to a polymeric arrangement of Re(CO) 3(pterin) (H 2O) complexes in the lattice. Protonation studies in aqueous solutions of the Re I complex showed two acid-base equilibriums with pK a1 = 3.9 and pK a2 = 8.8. pK a1 was assigned to the protonation equilibrium at N3 of the pterin ligand in the complex and pK a2 could be ascribed to the deprotonation of a coordinated water molecule. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
format JOUR
author Ragone, F.
Ruiz, G.T.
Piro, O.E.
Echeverría, G.A.
Cabrerizo, F.M.
Petroselli, G.
Erra-Balsells, R.
Hiraoka, K.
García Einschlag, F.S.
Wolcan, E.
author_facet Ragone, F.
Ruiz, G.T.
Piro, O.E.
Echeverría, G.A.
Cabrerizo, F.M.
Petroselli, G.
Erra-Balsells, R.
Hiraoka, K.
García Einschlag, F.S.
Wolcan, E.
author_sort Ragone, F.
title Water-soluble (Pterin)rhenium(I) complex: Synthesis, structural characterization, and two reversible protonation-deprotonation behavior in aqueous solutions
title_short Water-soluble (Pterin)rhenium(I) complex: Synthesis, structural characterization, and two reversible protonation-deprotonation behavior in aqueous solutions
title_full Water-soluble (Pterin)rhenium(I) complex: Synthesis, structural characterization, and two reversible protonation-deprotonation behavior in aqueous solutions
title_fullStr Water-soluble (Pterin)rhenium(I) complex: Synthesis, structural characterization, and two reversible protonation-deprotonation behavior in aqueous solutions
title_full_unstemmed Water-soluble (Pterin)rhenium(I) complex: Synthesis, structural characterization, and two reversible protonation-deprotonation behavior in aqueous solutions
title_sort water-soluble (pterin)rhenium(i) complex: synthesis, structural characterization, and two reversible protonation-deprotonation behavior in aqueous solutions
url http://hdl.handle.net/20.500.12110/paper_14341948_v_n30_p4801_Ragone
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