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Ligand field effects in lanthanide ions compounds have consequences for optical and magnetic spectroscopy. In the analysis of electron paramagnetic resonance spectra of Gd3+ complexes, a major role is played by the zero field splitting (ZFS), which is a hi ...
Classical molecular dynamics simulations with a force field adapted to the family of Gd3+ polyaminocarboxylate complexes have been successfully applied on two macrocyclic ([Gd(DOTA)(H2O)]- and [Gd(DO3A)(H2O)2]) and two acyclic ([Gd(DTPA)(H2O)]2- and [Gd(EG ...
Resonance Raman scattering studies of a complete dye-sensitized solar cell (DSC) including iodine and lithium iodide in the electrolyte indicate that triiodide (I3-) exchange the SCN- ligand of the dye bis(tetrabutylammonium) cis-bis(thiocyanato)bis(2,2'-b ...
This paper presents a three-dimensional, MODFLOW/MT3DMS- based reactive multicomponent transport model for saturated porous media. Based on a split-operator technique, the model, referred to as PHT3D, couples the transport simulator MT3DMS and the geochemi ...
n a previous paper, we reported the first longitudinally detected electron paramagnetic resonance (LODEPR) measurements of fast T1e values in aqueous solutions of two Gd3+ chelates, and we included predicted values for these relaxation times, based on zero ...
We investigated the electronic structure of epitaxially grown silver films on Cu(111) with and without adsorption of cesium by means of scanning tunneling spectroscopy and two-photon photoemission. This system has been chosen as a model system to engineer ...
A generic method is described for the reversible immobilization of polyhistidine-bearing polypeptides and proteins on attenuated total reflecting (ATR) sensor surfaces for the detection of biomol. interactions by FTIR spectroscopy. Nitrilotriacetic acid (N ...
Upon treating elemental S with [AgSbF6], [AgAl(hfip)4], [AgAl(pftb)4] (hfip = OCH(CF3)2, pftb = OC(CF3)3), [Ag(S8)2][SbF6] (1), [AgS8][Al(hfip)4] (2), and [Ag(S8)2]+[Al(pftb)4]- (3) formed in SO2 (1), CS2 (2), or CH2Cl2 (3). 1-3 Were characterized by singl ...
Multiple experiments (17O NMR, 1H NMR, and EPR) have been performed in the past to understand the microscopic parameters that control the magnetic relaxation rate enhancement induced by paramagnetic molecules on neighboring water protons, the so-called rel ...
Carbamoyl phosphate (CP) has been implicated as an educt for the synthesis of the CO and CN ligands of the metal centre of [NiFe]-hydrogenases in Escherichia coli, since CP synthetase mutants (carAB) are unable to generate active hydrogenases due to a bloc ...