Listar Reactividade Química e Fotorreactividade (REACT!) por fecha de publicación
Mostrando ítems 1-20 de 112
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Understanding the Mechanism of Base-Assisted Decomposition of (N-halo),N-alkylalcoholamines
(Royal Society of Chemistry (Gran Bretaña), 2003-09-29)[Abstract] The base-assisted decomposition of (N-X),N-methylethanolamine (X = Cl, Br) takes place mainly through two concurrent processes: a fragmentation and an intramolecular elimination. The global process follows second ... -
Designing binuclear transition metal complexes: a new example of the versatility of N,N′-bis(2-aminobenzyl)-4,13-diaza-18-crown-6
(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 ... -
Receptor versus counterion: capability of N,N′‐Bis(2‐aminobenzyl)‐diazacrowns for giving endo‐ and/or exocyclic coordination of ZnII
(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 ... -
Conformational study of lanthanide(III) complexes of N-(2-salicylaldiminatobenzyl)-1-aza-18-crown-6 by using X-ray and ab initio methods
(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 ... -
Zn(II), Cd(II) and Pb(II) complexation with pyridinecarboxylate containing ligands
(Royal Society of Chemistry, 2008-09-09)[Abstract] Herein, we report the coordination properties towards Zn(II), Cd(II) and Pb(II) of two hexadentate ligands containing pyridinecarboxylate groups with ethane-1,2-diamine (bcpe) or cyclohexane-1,2-diamine (bcpc) ... -
A Theoretical Study on the Mechanism of the Base-Promoted Decomposition of N-chloro,N-methylethanolamine
(Royal Society of Chemistry (Gran Bretaña), 2009-02-09)[Abstract] The first step of the base-promoted decomposition of N-chloro,N-methylethanolamine in aqueous solution (CH3N(Cl)CH2CH2OH + HO−→ imine + Cl− + H2O (+ CH2O) → amine + aldehyde) is investigated at the MP2/6-31++G(d,p) ... -
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
(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 ... -
Macrocyclic receptor showing improved PbII/ZnII and PbII/CaII selectivities
(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 ... -
Lead(II) complexes of lateral macrobicyclic receptors that incorporate a crown moiety and a pyridine head unit
(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 ... -
Applications of density functional theory (DFT) to investigate the structural, spectroscopic and magnetic properties of lanthanide(III) complexes
(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 ... -
The effect of ring size variation on the structure and stability of lanthanide(III) complexes with crown ethers containing picolinate pendants
(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 ... -
A merged experimental and theoretical conformational study on alkaline-earth complexes with lariat ethers derived from 4,13-diaza-18-crown-6
(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 ... -
Solid state and solution structures of alkaline-earth complexes with lariat ethers containing aniline and benzimidazole pendants
(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 ... -
Highly relaxing gadolinium based MRI contrast agents responsive to Mg2+ sensing
(Royal Society of Chemistry, 2012-04-28)[Abstract] A Gd complex based on a polyphosphonated pyridyl ligand shows a very high stability in aqueous solution (logKEuL = 25.7), a high relaxivity (8.5 mM−1 s−1 at 25 °C and 20 MHz) and a marked and selective relaxivity ... -
Definition of an intramolecular Eu‐to‐Eu energy transfer within a discrete [Eu2L] complex in solution
(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 ... -
Density functional dependence of molecular geometries in lanthanide(III) complexes relevant to bioanalytical and biomedical applications
(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, ... -
Hyperfine coupling constants on inner‐sphere water molecules of GdIII‐based MRI contrast agents
(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 ... -
Self‐aggregated dinuclear lanthanide(III) complexes as potential bimodal probes for magnetic resonance and optical imaging
(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 ... -
17O and 1H relaxometric and DFT study of hyperfine coupling constants in [Mn(H2O)6]2+
(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 ... -
Understanding stability trends along the lanthanide series
(Wiley, 2014-04-01)[Abstract] The stability trends across the lanthanide series of complexes with the polyaminocarboxylate ligands TETA4− (H4TETA=2,2′,2′′,2′′′‐(1,4,8,11 tetraazacyclotetradecane‐1,4,8,11‐tetrayl)tetraacetic acid), BCAED4− ...