Role of Inner- and Outer-Sphere Bonding in the Sensitization of EuIII-Luminescence Deciphered by Combined Analysis of Experimental Electron Density Distribution Function and Photophysical Data
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This thesis introduces original formalisms to achieve an accurate description of dispersion interactions within the framework of density functional theory. The presented research focuses on two specific objectives related to density functional approximatio ...
The objective of this work was the synthesis of serum albumin targeted, GdIII-based magnetic resonance imaging (MRI) contrast agents exhibiting a strong pH-dependent relaxivity. Two new complexes (Gd-glu and Gd-bbu) were synthesized based on the DO3A macro ...
Herein we present a theoretical investigation of the hyperfine coupling constants (HFCCs) on the inner-sphere water molecules of Gd(H2O)(8) and different Gd-III-based magnetic resonance imaging contrast agents such as Gd(DOTA)(H2O), [Gd(DTPA)(H2 ...
The rotation of the carboxylate groups in DOTA (DOTA = 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate) complexes of several lanthanide ions and Sc3+ was investigated with density functional theory (DFT) calculations and with variable temperature O-17 ...
Lanthanide hexafluoroacetylacetonate ternary complexes with 2,2'-bipyridine-N,N'-dioxide, [Ln(hfa)(3)(bpyO2)], were synthesized for Ln = Eu, Gd, Tb, and Lu and fully characterized by elemental, thermal, and mass-spectrometric analyses. The X-ray crystal st ...
Lanthanide hexafluoroacetylacetonate ternary complexes with 2,2'-bipyridine-N,N'-dioxide, [Ln(hfa)3(bpyO2)], were synthesized for Ln = Eu, Gd, Tb, and Lu and fully characterized by elemental, thermal, and mass-spectrometric analyses. The X-ray crystal stru ...
Phosphinoylated calixarenes feature high coordination ability toward f elements and a great potentiality toward actinide/rare earth separation. Here, we report three characteristic properties of a tetra-phosphinoylated p-tert-butylcalix[4]arene, B(4)bL(4) ...
Three 6-phosphoryl picolinic acid (6PPA) derivatives were synthesized and used as europium and terbium sensitizers. Two of the three ligands (6-diethoxyphosphoryl picolinic acid (Hdeppa) and 6-monoethoxyphosphoryl picofinic acid (H(2)meppa)) are water-solu ...
Triatomic transition-metal oxides in the "inserted dioxide" (O-M-O) structure represent one of the simplest examples of systems that undergo qualitative geometrical changes via subtle electronic-structure modulation. We consider here three transition-metal ...
We present a low-temperature indium hermetic bonding technique on wafer level without using flux, active atmosphere or other pretreatment of the indium. Its simplicity and low temperatures allow encapsulation of sensitive MEMS devices. Bonding stronger tha ...