The Creutz-Taube complex revisited: crystallographic study of the electron-transfer series (.mu.-pyrazine)decaamminediruthenium ([(NH3)5Ru(Pyz)Ru(NH3)5]n+ (n = 4-6))

Revitalizing Spin Natural Orbital Analysis: Electronic Structures of Mixed‐Valence Compounds, Singlet Biradicals, and Antiferromagnetically Coupled Systems

“…A very similar case could be found in the Creutz–Taube complex [(NH 3 ) 5 Ru(Pyz)Ru(NH 3 ) 5 ] 5+ , which is another famous mixed‐valence compound. Again, it is usually believed that the unpaired electron is localized on the transition metal centers, and hence the metal centers resonate between Ru(II)–Ru(III) and Ru(III)–Ru(II).…”

Understanding excited-state structure in metal polypyridyl complexes using resonance Raman excitation profiles, time-resolved resonance Raman spectroscopy and density functional theory

“…Using Eq. (8) the dimensionless distortions were found to be greatest for the mode involving the metal-N (NH 3 ) bond, which is expected from earlier assignments in the literature [84] and akin to using reporterligands for the metal in IR spectroscopy (see Section 5). Other modes showing significant distortions occur at 1604 and 1210 cm −1 , which involve distortions of the C C and C N bonds.…”

Exchange Coupling in Metal Complexes of the Second Transition Series: A Theoretical Exploration

“…The first structure corresponds to a pyrazino-bridged Ru III dinuclear complex [40] (see 3) related to the CreutzϪTaube mixed-valence complex. [41] The interaction of the π-system of the pyrazine with one of the t 2g orbitals produces the largest stabilization due to the π-acid character of the pyrazine ligands while the one that combines slightly with the σ-system remains at an intermediate energy.…”