Electronic structure of ruthenium complexes. Role of individual molecular orbitals in the transmission of the mutual influences of ligands in nitrosyl complexes
Journal Article
·
· J. Struct. Chem. (Engl. Transl.); (United States)
A comparative x-ray-spectroscopic and quantum-chemical investigation of the electronic structure of the complexes (RuL/sub 6/) and (RuL/sub 5/X) (L = NH/sub 3/, CN/sup -/, Cl/sup -/; X = CO, NO, H/sub 2/O) has been conducted. It has been shown that x-ray spectra, which are sensitive to changes in the electron density on the central atom and the ligand, can be used to determine the charges on them. The spectra of oxygen in the NO ligand in the nitrosyl complexes (RuL/sub 5/NO) contains information on the sigma or ..pi.. interactions of the NO group with the metal in accordance with the type of the ligand L. The orbital mechanism of the mutual influences of ligands in substituted ruthenium complexes has been analyzed.
- OSTI ID:
- 5129363
- Journal Information:
- J. Struct. Chem. (Engl. Transl.); (United States), Journal Name: J. Struct. Chem. (Engl. Transl.); (United States) Vol. 28:3; ISSN JSTCA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ATOMIC MODELS
BINDING ENERGY
CHARGE DISTRIBUTION
COMPARATIVE EVALUATIONS
COMPLEXES
CONFIGURATION INTERACTION
COUPLING
ELECTRON DENSITY
ELECTRONIC STRUCTURE
ELECTRONS
ELEMENTARY PARTICLES
ENERGY
ENERGY-LEVEL TRANSITIONS
FERMIONS
GROUP THEORY
HAMILTONIANS
INTERMEDIATE COUPLING
IRREDUCIBLE REPRESENTATIONS
L-S COUPLING
LEPTONS
LIGANDS
MATHEMATICAL MODELS
MATHEMATICAL OPERATORS
MATHEMATICS
MECHANICS
MULTIPLETS
NITROSO COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
QUANTUM MECHANICS
QUANTUM OPERATORS
RUTHENIUM COMPLEXES
SPECTRA
TRANSITION ELEMENT COMPLEXES
VALENCE
X-RAY SPECTRA
400201* -- Chemical & Physicochemical Properties
640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ATOMIC MODELS
BINDING ENERGY
CHARGE DISTRIBUTION
COMPARATIVE EVALUATIONS
COMPLEXES
CONFIGURATION INTERACTION
COUPLING
ELECTRON DENSITY
ELECTRONIC STRUCTURE
ELECTRONS
ELEMENTARY PARTICLES
ENERGY
ENERGY-LEVEL TRANSITIONS
FERMIONS
GROUP THEORY
HAMILTONIANS
INTERMEDIATE COUPLING
IRREDUCIBLE REPRESENTATIONS
L-S COUPLING
LEPTONS
LIGANDS
MATHEMATICAL MODELS
MATHEMATICAL OPERATORS
MATHEMATICS
MECHANICS
MULTIPLETS
NITROSO COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
QUANTUM MECHANICS
QUANTUM OPERATORS
RUTHENIUM COMPLEXES
SPECTRA
TRANSITION ELEMENT COMPLEXES
VALENCE
X-RAY SPECTRA