Water exchange studies of lanthanide complexes and aqua ions
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The novel fast-growth or multiple steering mol. dynamics (MSMD) technique has been recently developed by Jarzynski to calc. free energy profiles along general transformation pathways (Phys. Rev. Lett. 1997, 78, 2690-2693; Phys. Rev. E 1997, 56, 5018-5035). ...
A method for the facile prepn. of oligoribonucleotide analogs contg. b-D-allo-furanosyl nucleosides with addnl. functional groups tethered to the 6'-O positions is presented. It is based on the synthesis in two protected nucleosides carrying a 6'-O-bromope ...
he structure and dynamics of the surrounding water were studied through molecular dynamics (MD) simulations for several GdIII polyaminocarboxylate and polyaminophosphonate complexes in aqueous solution. The radial distribution functions (rdf) show that a f ...
The structure of the title compound, [La(C5H6O4)(C5H7O4)(H2O)] . H2O, consists of dense layers formed by chains of one-edge-sharing LaO9 (H2O) polyhedra, linked together by the glutarate ligand. The three-dimensional polymeric structure, built up through c ...
Upon reacting P4S3 with AgAl(hfip)4 and AgAl(pftb)4 [hfip = OC(H)(CF3)2; pftb = OC(CF3)3], the compds. Ag(P4S3)Al(hfip)4 (1) and Ag(P4S3)2+[Al(pftb)4]- (2) formed in CS2 or CS2/CH2Cl2 soln., resp. Compds. 1 and 2 were characterized by single-crystal x-ray ...
The photophysical properties of the triple-stranded dimetallic helicates [Ln2(LC−2H)3]·H2O (Ln = Nd, Sm, Dy, Yb) are determined in water and D2O solutions, and energy transfer processes are modeled for SmIII. The luminescence of NdIII, SmIII, and YbIII is ...
For the low-spin t2g6 Ru(OH2)62+ (ΔV⧧ = −0.4 cm3 mol-1) and Rh(OH2)63+ (ΔV⧧ = −4.2 cm3 mol-1) hexaaquaions, the respective Id and Ia water exchange mechanisms had been assigned, mainly on the basis of activation volumes ΔV⧧ and entering ligands effects for ...
THE exchange of metal ions between an oxide mineral surface and water occurs in a wide range of processes, including corrosion(1), the breakdown, of inhaled dusts(2,3), soil formation(4) and the cycling of toxic substances in the environment(5). In studies ...
Since the first facile synthesis of Ru(H2O)(6)(2) was published at the beginning of the eighties, several Ru-II aqueous inorganic and organometallic complexes were described, showing the increasing interest in this kind of compound due to potential ...
