Kolja Theilacker

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The ligand-field strength in metal complexes of polydentate ligands depends critically on how the ligand backbone places the donor atoms in three-dimensional space. Distortions from regular coordination geometries are often observed. In this work, we study the isolated effect of ligand-sphere distortion by means of two structurally related pentadentate(More)
A series of paracyclophane (PC) bridged mixed-valence (MV) bis-triarylamine radical cations with different ([2.2], [3.3], [4.4]) linkers, with and without additional ethynyl spacers, have been studied by quantum-chemical calculations (BLYP35-D3/TZVP/COSMO) of ground-state structures, thermal electron-transfer barriers, hyperfine couplings, and lowest-lying(More)
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