Browsing by Author "Esteban-Gómez, David"
Now showing items 1-20 of 72
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1,4,7‐triazacyclononane‐based bifunctional picolinate ligands for efficient copper complexation
Guillou, Amaury; Lima, Luís M. P.; Roger, Mélissa; Esteban-Gómez, David; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël (Wiley, 2017-05-10)[Abstract] Three 1,4,7‐triazacyclononane‐based (tacn‐based) ligands containing picolyl and picolinate pendant arms (no3py, no2pa1py, and no3pa) were synthesized, and their copper(II) complexation properties were studied ... -
17O and 1H relaxometric and DFT study of hyperfine coupling constants in [Mn(H2O)6]2+
Esteban-Gómez, David; Cassino, Claudio; Botta, Mauro; Platas-Iglesias, Carlos (Royal Society of Chemistry, 2014-01-06)[Abstract] Nuclear Magnetic Relaxation Dispersion (NMRD) profiles and 17O NMR chemical shifts and transverse relaxation rates of aqueous solutions of [Mn(H2O)6]2+ were recorded to determine the parameters governing the ... -
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 ... -
A Pentadentate Member of the Picolinate Family for Mn(ɪɪ) Complexation and an Amphiphilic Derivative
Pujales-Paradela, Rosa; Carniato, Fabio; Uzal-Varela, Rocío; Brandariz, Isabel; Iglesias, Emilia; Platas-Iglesias, Carlos; Botta, Mauro; Esteban-Gómez, David (Royal Society of Chemistry, 2018-12-04)[Abstract] We report a pentadentate ligand containing a 2,2′-azanediyldiacetic acid moiety functionalized with a picolinate group at the nitrogen atom (H3paada), as well as a lipophylic derivative functionalized with a ... -
Accelerating water exchange in GdIII–DO3A-derivatives by favouring the dissociative mechanism through hydrogen bonding
Leone, Loredana; Esteban-Gómez, David; Platas-Iglesias, Carlos; Milanesio, Marco; Tei, Lorenzo (Royal Society of Chemistry, 2018-12-10)[Abstract] The GdIII-complexes of DO3A-acetophenone and ortho- or para- hydroxyacetophenone ligands have been investigated to assess the effect of the presence of a phenol group on the relaxivity and on the water exchange ... -
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 ... -
Approaching the kinetic inertness of macrocyclic gadolinium(III)-based MRI contrast agents with highly rigid open-chain derivatives
Tircsó, Gyula; Regueiro-Figueroa, Martín; Nagy, Viktória; Garda, Zoltán; Garai, Tamás; Kálmán, Ferenc; Esteban-Gómez, David; Tóth, Éva; Platas-Iglesias, Carlos (Wiley, 2016-01-08)[Abstract] A highly rigid open-chain octadentate ligand (H4cddadpa) containing a diaminocylohexane unit to replace the ethylenediamine bridge of 6,6′-[(ethane-1,2 diylbis{(carboxymethyl)azanediyl})bis(methylene)] dipicolinic ... -
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 ... -
Complejación de plomo(II) y cadmio(II) con nuevos receptores macrocíclicos derivados de azacoronandos
Esteban-Gómez, David (2002)[Resumen] En la presente Tesis Doctoral se describen catorce nuevos receptores macrocíclicos derivados de los coronandos 1,10-diaza-15-corona-5 ó 4,13-diaza-18-corona-6 y se han estudiado sus propiedades coordinantes y ... -
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 ... -
Controlling Water Exchange Rates in Potential Mn²⁺-Based MRI Agents Derived From NO2A²⁻
Pujales-Paradela, Rosa; Carniato, Fabio; Esteban-Gómez, David; Botta, Mauro; Platas-Iglesias, Carlos (Royal Society of Chemistry, 2019-02-22)[Abstract] We report a series of pentadentate ligands based on a 1,4,7-triazacyclononane-1,4-diacetic acid (H2NO2A) containing different substituents attached to the third nitrogen atom of the macrocyclic unit. Detailed ... -
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 ... -
Developing the family of picolinate ligands for Mn2+ complexation
Forgács, Attila; Pujales-Paradela, Rosa; Regueiro-Figueroa, Martín; Valencia, Laura; Esteban-Gómez, David; Botta, Mauro; Platas-Iglesias, Carlos (Royal Society of Chemistry, 2016-12-22)[Abstract] We have reported here a series of ligands containing pentadentate 6,6′-(azanediylbis(methylene))dipicolinic acid units that differ in the substituent present at the amine nitrogen atom (acetate: H3DPAAA; phenyl: ... -
Dimer formation of GdDO3A-arylsulfonamide complexes causes loss of pH-dependency of relaxivity
Wacker, Anja; Carniato, Fabio; Platas-Iglesias, Carlos; Esteban-Gómez, David; Wester, Hans-Jürgen; Tei, Lorenzo; Notni, Johannes (Royal Society of Chemistry, 2017-11-06)[Abstract] Gadolinium(III) complexes with pH-dependent relaxivities have been proposed as responsive magnetic resonance imaging (MRI) contrast agents (CA) for mapping of pH value in living subjects. The latter is clinically ... -
Ditopic receptors containing urea groups for solvent extraction of Cu(II) salts
Carreira-Barral, Israel; Mato-Iglesias, Marta; Blas, Andrés de; Platas-Iglesias, Carlos; Tasker, Peter A.; Esteban-Gómez, David (Royal Society of Chemistry, 2017-02-15)[Abstract] The ditopic receptor L3 [1-(2-((7-(4-(tert-butyl)benzyl)-1,4,7,10-tetraazacyclododecan-1-yl)methyl)phenyl)-3-(3-nitrophenyl)urea] containing a macrocyclic cyclen unit for Cu(II)-coordination and a urea moiety ... -
Donor Radii in Rare-Earth Complexes
Harriswangler, Charlene; Frías, Juan C.; Albelda Gimeno, M. Teresa; García-España, Enrique; Esteban-Gómez, David; Platas-Iglesias, Carlos (American Chemical Society, 2023-10-02)[Abstract]: We present a set of donor radii for the rare-earth cations obtained from the analysis of structural data available in the Cambridge Structural Database (CSD). Theoretical calculations using density functional ...