Listar1. Investigación por tema "Water exchange"

Mostrando ítems 1-3 de 3

    • 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 ...

    • Expanding the Ligand Classes Used for Mn(II) Complexation: Oxa-aza Macrocycles Make the Difference 

      Kálmán, Ferenc; Nagy, Viktória; Uzal-Varela, Rocío; Pérez-Lourido, Paulo; Esteban-Gómez, David; Garda, Zoltán; Pota, Kristof; Mezei, Roland; Pallier, Agnès; Tóth, Éva; Platas-Iglesias, Carlos; Tircsó, Gyula (MDPI, 2021-03-10)
      [Abstract] We report two macrocyclic ligands based on a 1,7-diaza-12-crown-4 platform functionalized with acetate (𝑡O2DO2A²⁻) or piperidineacetamide (𝑡O2DO2AMᴾⁱᵖ) pendant arms and a detailed characterization of the ...

    • Water exchange rates and mechanisms in tetrahedral [Be(H2O)4]2+ and [Li(H2O)4]+ complexes using DFT methods and cluster‐continuum models 

      Regueiro-Figueroa, Martín; Esteban-Gómez, David; Pujales-Paradela, Rosa; Caneda-Martínez, Laura; Blas, Andrés de; Platas-Iglesias, Carlos (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 ...