Buscar
Mostrando ítems 1-10 de 13
Approaching the kinetic inertness of macrocyclic gadolinium(III)-based MRI contrast agents with highly rigid open-chain derivatives
(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 ...
Magnetic anisotropies in rhombic lanthanide(III) complexes do not conform to Bleaney’s theory
(American Chemical Society, 2016-04-04)
[Abstract] We report a complete set of magnetic susceptibilities of lanthanide complexes with a macrocyclic ligand based on a 3,6,10,13-tetraaza-1,8(2,6)-dipyridinacyclotetradecaphane platform containing four hydroxyethyl ...
Synthesis and characterisation of bismacrocyclic DO3A-amide derivatives – an approach towards metal-responsive PARACEST agents
(Royal Society of Chemistry, 2016-02-26)
[Abstract] Three new bismacrocyclic Ln3+ chelates consisting of triamide derivatives of cyclen with glycine, methyl and tert-butyl substituents (L1–3, respectively) linked to an acyclic EGTA-derived calcium chelator were ...
Developing the family of picolinate ligands for Mn2+ complexation
(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: ...
Room temperature molecular up conversion in solution
(Springer Nature, 2016-06-15)
[Abstract] Up conversion is an Anti-Stokes luminescent process by which photons of low energy are piled up to generate light at a higher energy. Here we show that the addition of fluoride anions to a D2O solution of a ...
[C–H⋯anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal–organic structures in aqueous solutions
(Royal Society of Chemistry, 2016-02-12)
[Abstract] Two synthetic approaches—temperature variation and anion templation—allowed for the selective formation of a [2]catenane ([2]C4+) or a trefoil knot (TK6+), or for the enhanced formation of a Solomon link (SL8+), ...
Transient versus static electron spin relaxation in Mn2+ complexes relevant as MRI contrast agents
(American Chemical Society, 2016-08-18)
[Abstract] The zero-field splitting (ZFS) parameters of the [Mn(EDTA)(H2O)]2–·2H2O and [Mn(MeNO2A)(H2O)]·2H2O systems were estimated by using DFT and ab initio CASSCF/NEVPT2 calculations (EDTA = 2,2′,2″,2‴-(ethane-1,2-di ...
Sulphur-rich functionalized calix[4]arenes for selective complexation of Hg2+ over Cu2+, Zn2+ and Cd2+
(Royal Society of Chemistry, 2016-08-16)
[Abstract] The syntheses of two new ligands based on a calix[4]arene scaffold in the cone conformation functionalized on the phenolic positions 1 and 3 by diethylthiophosphonates (L1) or tetra(tri)thioethyleneglycol (L2) ...
Water exchange rates and mechanisms in tetrahedral [Be(H2O)4]2+ and [Li(H2O)4]+ complexes using DFT methods and cluster‐continuum models
(Wiley, 2016-10-05)
[Abstract] The water exchange reactions in aquated Li+ and Be2+ ions were investigated with density functional theory calculations performed using the [Li(H2O)4]+·14H2O and [Be(H2O)4]2+·8H2O systems and a cluster‐continuum ...
Unexpected Changes in the Population of Coordination Isomers for the Lanthanide Ion Complexes of DOTMA–Tetraglycinate
(American Chemical Society, 2016-09-19)
[Abstract] Lanthanide complexes with DOTA–tetraglycinate (DOTA-(gly)4) heavily favor the square antiprismatic (SAP) coordination isomer in aqueous solution, a structural feature that has made them useful as water-based ...