Orbital Analysis of Metal-to-Ligand Charge Transfer and Oxidation in (NH3)5RuL2+ Complexes: Effective t2g Orbital Ordering and the Role of Ligand π and π* Orbitals

Authors :: Marshall D. Newton
Yeung-gyo K. Shin
Bruce S. Brunschwig
Carol Creutz
Norman Sutin
Source :: The Journal of Physical Chemistry. 100:1104-1110
Publication Year :: 1996
Publisher :: American Chemical Society (ACS), 1996.
Abstract: Both metal-to-ligand charge transfer (MLCT) and oxidation (ionization) processes have been investigated for (NH3)5RuL2+ complexes with L = pyridine, pyrazine, and protonated pyrazine. Calculations ...

Subjects :: inorganic chemicals
Pyrazine
Ligand
General Engineering
Hartree–Fock method
Configuration interaction
chemistry.chemical_compound
Electron transfer
Crystallography
Atomic orbital
chemistry
Computational chemistry
Ionization
parasitic diseases
Pyridine
Physical and Theoretical Chemistry

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