Browsing by Author "Rodríguez-Blas, Teresa"
Now showing items 1-20 of 23
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A merged experimental and theoretical conformational study on alkaline-earth complexes with lariat ethers derived from 4,13-diaza-18-crown-6
Carreira-Barral, Israel; Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Platas-Iglesias, Carlos; Blas, Andrés de; Rodríguez-Blas, Teresa (Elsevier, 2011-02-05)[Abstract] Herein, we report the synthesis and structural characterization of alkaline-earth complexes with the bibracchial lariat ethers N,N′-bis(2-aminobenzyl)-4,13-diaza-18-crown-6 (L2) and N,N′-bis(benzimidazol-2ylme ... -
Applications of density functional theory (DFT) to investigate the structural, spectroscopic and magnetic properties of lanthanide(III) complexes
Platas-Iglesias, Carlos; Roca Sabio, Adrián; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa (Bentham Science, 2011)[Abstract] Density functional theory (DFT) has become a general tool to investigate the structure and properties of complicated inorganic molecules, such as lanthanide(III) coordination compounds, due to the high accuracy ... -
Binuclear Co(II), Ni(II), Cu(II) and Zn(II) complexes with Schiff-bases derived from crown ether platforms: rare examples of ether oxygen atoms bridging metal centers
Vaiana, Lea; Mato-Iglesias, Marta; Esteban-Gómez, David; Platas-Iglesias, Carlos; Blas, Andrés de; Rodríguez-Blas, Teresa (Elsevier, 2010-05-26)[Abstract] Bibracchial lariat ethers L3 and L4, derived from the condensation of N,N′-bis(2-aminobenzyl)-1,10-diaza-15-crown-5 or N,N′-bis(2-aminobenzyl)-4,13-diaza-18-crown-6 with salicylaldehyde, form binuclear complexes ... -
Cinderella Elements: Strategies to Increase the Stability of Group 1 Complexes by Tailoring Crown Macrocycles
Rodríguez-Rodríguez, Aurora; Carreira-Barral, Israel; Esteban-Gómez, David; Platas-Iglesias, Carlos; Blas, Andrés de; Rodríguez-Blas, Teresa (Elsevier, 2014-06-01)[Abstract] The synthesis and structural characterization of six sodium complexes with bibracchial lariatethers containing aniline or benzimidazole side arms, and derived from 1,7 diaza-12-crown-4, 1,10-diaza-15-crown-5 or ... -
Conformational study of lanthanide(III) complexes of N-(2-salicylaldiminatobenzyl)-1-aza-18-crown-6 by using X-ray and ab initio methods
González-Lorenzo, Marina; Platas-Iglesias, Carlos; Mato-Iglesias, Marta; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa (Elsevier, 2008-02-21)[Abstract] A structural study of lanthanide complexes with the deprotonated form of the monobracchial lariat ether N-2-salicylaldiminatobenzyl-aza-18-crown-6 (L4) (Ln = La(III)–Tb(III)) is presented. Attempts to isolate ... -
Definition of an intramolecular Eu‐to‐Eu energy transfer within a discrete [Eu2L] complex in solution
Nonat, Aline; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos; Charbonnière, Loïc J. (Wiley, 2012-06-25)[Abstract] Ligand L, based on two do3a moieties linked by the methylene groups of 6,6′‐dimethyl‐2,2′‐bipyridine, was synthesized and characterized. The addition of Ln salts to an aqueous solution of L (0.01 M Tris‐HCl, pH ... -
Definition of the labile capping bond effect in lanthanide complexes
Rodríguez-Rodríguez, Aurora; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Rodríguez-Blas, Teresa; Patinec, Véronique; Tripier, Raphaël; Tircsó, Gyula; Carniato, Fabio; Botta, Mauro; Platas-Iglesias, Carlos (Wiley, 2017-01-23)[Abstract] Two macrocyclic ligands containing a cyclen unit, a methyl group, a picolinate arm, and two acetate pendant arms attached to two nitrogen atoms of the macrocycle either in trans (1,7-H3Medo2 ampa = 2,2′-(7-((6 ... -
Density functional dependence of molecular geometries in lanthanide(III) complexes relevant to bioanalytical and biomedical applications
Roca Sabio, Adrián; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos (Elsevier, 2012-11-01)[Abstract] A set of 15 lanthanide-containing model systems was used to evaluate the performance of 15 commonly available density functionals (SVWN, SPL, BLYP, G96LYP, mPWLYP, B3LYP, BH&HLYP, B3PW91, BB95, mPWB95, TPSS, ... -
Designing binuclear transition metal complexes: a new example of the versatility of N,N′-bis(2-aminobenzyl)-4,13-diaza-18-crown-6
Vaiana, Lea; Platas-Iglesias, Carlos; Esteban-Gómez, David; Avecilla, Fernando; Clemente-Juan, Juan Modesto; Real, José Antonio; Blas, Andrés de; Rodríguez-Blas, Teresa (Royal Society of Chemistry, 2005-04-27)[Abstract] N,N′-Bis(2-aminobenzyl)-4,13-diaza-18-crown-6 (L) is a versatile receptor able to adapt to the coordinative preferences of different metal cation guests. With first-row transition metal ions, L tends to form ... -
Find Your Personal Elements: An Engaging Approach to Introducing Chemistry to Secondary School Students
Rodríguez-Blas, Teresa; Blas, Andrés de; Latorre-López, María-Jesús; Picos-Nebril, Sofía (American Chemical Society, 2021-04-26)[Abstract] Creative educational methodologies capable of engaging students in interactive, enjoyable learning help to lessen students’ anxieties and motivate them. In this context and with the objective of making easier ... -
High relaxivity Mn2+-based MRI contrast agents
Regueiro-Figueroa, Martín; Rolla, Gabriele A.; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa; Botta, Mauro; Platas-Iglesias, Carlos (Wiley, 2014-12-16)[Abstract] Stable Mn2+ mono- and binuclear complexes containing pentadentate 6,6′-((methylazanediyl)bis(methylene)) dipicolinic acid coordinating units give remarkably high relaxivities due to the presence of two inner-sphere ... -
Highly stable complexes of divalent metal ions (Mg2+, Ca2+, Cu2+, Zn2+, Cd2+, and Pb2+) with a dota‐like ligand containing a picolinate pendant
Regueiro-Figueroa, Martín; Ruscsák, Erika; Fra, Laura; Tircsó, Gyula; Tóth, Imre; Blas, Andrés de; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos; Esteban-Gómez, David (Wiley, 2014-12)[Abstract] The stability constants of complexes of the macrocyclic ligand do3a‐pic4– (H4do3a‐pic = 2,2′,2″‐{10‐[(6‐carboxypyridin‐2‐yl)methyl]‐1,4,7,10‐tetraazacyclododecane 1,4,7‐triyl}triacetic acid) with several divalent ... -
Hyperfine coupling constants on inner‐sphere water molecules of GdIII‐based MRI contrast agents
Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa; Helm, Lothar; Platas-Iglesias, Carlos (Wiley, 2012-11-02)[Abstract] Herein we present a theoretical investigation of the hyperfine coupling constants (HFCCs) on the inner‐sphere water molecules of [Gd(H2O)8]3+ and different GdIII‐based magnetic resonance imaging contrast agents ... -
Lead(II) complexes of lateral macrobicyclic receptors that incorporate a crown moiety and a pyridine head unit
Esteban-Gómez, David; Enríquez-Pérez, Teresa; Ferreirós-Martínez, Raquel; Mato-Iglesias, Marta; Platas-Iglesias, Carlos; Blas, Andrés de; Rodríguez-Blas, Teresa (Wiley, 2010-11)[Abstract] The coordinative properties towards lead(II) of two lateral macrobicyclic receptors that incorporate either a 1,10‐diaza‐[15]crown‐5 (L7) or a 4,13‐diaza‐[18]crown‐6 (L8) fragment are reported. Spectrophotometric ... -
Macrocyclic receptor showing improved PbII/ZnII and PbII/CaII selectivities
Ferreirós-Martínez, Raquel; Platas-Iglesias, Carlos; Blas, Andrés de; Esteban-Gómez, David; Rodríguez-Blas, Teresa (Wiley, 2010-05-31)[Abstract] Herein we report on the macrocyclic receptor N,N′‐bis[(6‐carboxy‐2‐pyridyl)methyl]‐1,10‐diaza‐15‐crown‐5 (H2bp15c5) and its coordination properties towards ZnII, CdII, PbII, and CaII. The stability constants of ... -
Receptor versus counterion: capability of N,N′‐Bis(2‐aminobenzyl)‐diazacrowns for giving endo‐ and/or exocyclic coordination of ZnII
Vaiana, Lea; Platas-Iglesias, Carlos; Esteban-Gómez, David; Avecilla, Fernando; Blas, Andrés de; Rodríguez-Blas, Teresa (Wiley, 2007-03-20)[Abstract] The structure of ZnII complexes with receptors L1 and L2[L1 = N,N′‐bis(2‐aminobenzyl)‐1,10‐diaza‐15‐crown‐5 and L2 = N,N′‐bis(2‐aminobenzyl)‐4,13‐diaza‐18‐crown‐6] was studied both in the solid state and in ... -
Self‐aggregated dinuclear lanthanide(III) complexes as potential bimodal probes for magnetic resonance and optical imaging
Regueiro-Figueroa, Martín; Nonat, Aline; Rolla, Gabriele A.; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa; Charbonnière, Loïc J.; Botta, Mauro; Platas-Iglesias, Carlos (Wiley, 2013-08-26)[Abstract] Homodinuclear lanthanide complexes (Ln=La, Eu, Gd, Tb, Yb and Lu) derived from a bis‐macrocyclic ligand featuring two 2,2′,2′′‐(1,4,7,10‐tetraazacyclododecane‐1,4,7 triyl)triacetic acid chelating sites linked ... -
Solid state and solution structures of alkaline-earth complexes with lariat ethers containing aniline and benzimidazole pendants
Rodríguez-Rodríguez, Aurora; Carreira-Barral, Israel; Regueiro-Figueroa, Martín; Esteban-Gómez, David; Platas-Iglesias, Carlos; Blas, Andrés de; Rodríguez-Blas, Teresa (Elsevier, 2012-01-04)[Abstract] Herein we report the synthesis and structural characterization of Mg(II), Ca(II), Sr(II) and Ba(II) complexes with bibracchial lariat ethers derived from 1,7-diaza-15-crown-5 and 1,7-diaza-12-crown-4 containing ... -
Stable Mn2+, Cu2+ and Ln3+ complexes with cyclen-based ligands functionalized with picolinate pendant arms
Rodríguez-Rodríguez, Aurora; Garda, Zoltán; Ruscsák, Erika; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa; Lima, Luís M. P.; Beyler, Maryline; Tripier, Raphaël; Tircsó, Gyula; Platas-Iglesias, Carlos (Royal Society of Chemistry, 2015-01-20)[Abstract] In this study we present the results of the equilibrium, dissociation kinetics, DFT and X - ray crystallographic studies performed on the complexes of metal ions of biomedical importance (Mn 2+ , Cu 2+ and ... -
The effect of ring size variation on the structure and stability of lanthanide(III) complexes with crown ethers containing picolinate pendants
Roca Sabio, Adrián; Mato-Iglesias, Marta; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa; Platas-Iglesias, Carlos (Royal Society of Chemistry, 2011-01-14)[Abstract] The coordination properties of the macrocyclic receptor N,N′-bis[(6-carboxy-2-pyridyl)methylene]-1,10-diaza-15-crown-5 (H2bp15c5) towards the lanthanide ions are reported. Thermodynamic stability constants were ...
