Matthias Parthey

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In mixed-valence (MV) systems essentially identical, more or less electronically coupled, redox centres are brought into formally different oxidation states by removal or addition of an electron. Depending on the strength of electronic coupling, an electron or a hole is either concentrated on one of the redox centres, or it is symmetrically delocalised onto(More)
Convenient preparative routes to mononuclear ruthenium complexes containing the 2,4-pentadiynylnitrile, or cyanobutadiynyl, ligand are described. The electronic properties of the [C(5)N](-) ligand are closely related to those of not only the cyanide ([CN](-)) and 2-propynylnitrile or cyanoacetylide ([C≡CC≡N](-)) ligands, but also those of the isoelectronic(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)
This article discusses recent progress by a combination of spectroscopy and quantum-chemical calculations in classifying and characterizing organic mixed-valence systems in terms of their localized vs. delocalized character. A recently developed quantum-chemical protocol based on non-standard hybrid functionals and continuum solvent models is evaluated for(More)
The character of the electronic transitions in the ultraviolet-visible-near infrared (UV-vis-NIR) spectra of platinum-bis(alkynyl) bridged, bis-triarylamine mixed-valence systems trans-[Pt(C≡CC6H4NAr2)2 (PR3)2](n+) (R = ethyl, Ar = C6H4CH3-4 (1) or C6H4OCH3-4 (2); R = Ph, Ar = C6H4CH3-4 (3) or C6H4OCH3-4 (4), n = 0, 1, 2) has been determined from a(More)
The conformational energy landscape and the associated electronic structure and spectroscopic properties (UV/Vis/near-infrared (NIR) and IR) of three formally d(5)/d(6) mixed-valence diruthenium complex cations, [{Ru(dppe)Cp*}2(μ-C≡CC6H4C≡C)](+), [1](+), [trans-{RuCl(dppe)2}2(μ-C≡CC6H4C≡C)](+), [2](+), and the Creutz-Taube ion, [{Ru(NH3)5}2(μ-pz)](5+),(More)
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