ENERGY LEVELS OF PLATINUM(II) COMPLEXES ON THE BASIS OF LIGAND FIELD THEORY

Technical Report · Mon May 01 00:00:00 EDT 1961

OSTI ID:4832210

Fenske, R F; Martin, D S

The energy levels of square planar platmnum (Il) complexes are calculated on the basls of ligand field theory in which a point dipole model was used for the lugands. Configuration interaction, including spin-orbit coupling, was taken into account by the appropriate choice of basic functions for the irreducible representatlons of the D/sub 4h/ group. The resultant secular equations, derived for both the weak and strong field cases, were solved numerically by means of a high-speed digital computer. Reasonable values for the ligand field, electronlc interaction, and spin-orbut coupling parameters were chosen to obtain theoretical transition energies for (PtCl/sub 4/)sup -2/ and ammonia-substituted chloroplatinates (II) which gave good agreement with experimental values taken from absorption spectra. D/sub 4h/ symmetry was assumed for all the complexes considered in order to similfy the calculations. The proposed energy level assignment for the d-orbitals is: d/sub x/2/sub - gamma /2> d/sub xy/> d/sub z d/sub xz/, d/sub yz, which differs from an assignment previously reported ln the literature in regard to the order of the d/sub z/2 orbital and the degenerate d/sub sz/, d/sub yz/ orbitals. Detailed notes on all pertinent derivatlons of the appropriate wave functions and matrix elements are presented. (auth)

• Research Organization: Ames Lab., Ames, Iowa
• DOE Contract Number: W-7405-ENG-82
• NSA Number: NSA-16-002991
• OSTI ID: 4832210
• Report Number(s): IS-342
• Country of Publication: United States
• Language: English

Related Subjects

ABSORPTION
AMMONIA
ATOMIC MODELS
CHEMISTRY
COMPLEXES
COMPUTERS
CONFIGURATION
DIGITAL SYSTEMS
DIPOLES
ELECTROMAGNETIC WAVES
ELECTRONS
ENERGY LEVELS
EQUATIONS
FIELD THEORY
INTERACTIONS
LATTICES
LIGANDS
MATRICES
PLATINUM CHLORIDES
PLATINUM COMPLEXES
QUANTUM MECHANICS
SECULAR EQUATION
SPECTRA
SPIN
WAVE MECHANICS