A Ligand Field Theory Analysis of the Spectra of the t2g3 Levels of IrF6.

Abstract

Calculations are presented for the t2g3 molecular levels of IrF6 which indicate a substantial interaction with charge transfer levels at ca. 20,000/cm. Interaction between charge transfer and t2g states is so extensive that the five t2g3 levels cannot be fit with physically reasonable Racah, spin orbit, and crystal field parameters.

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Document Details

Document Type
Technical Report
Publication Date
Mar 01, 1978
Accession Number
ADA053025

Entities

People

  • Elliot R. Bernstein
  • J. D. Webb

Organizations

  • Colorado State University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Absorption Spectra
  • California
  • Charge Transfer
  • Chemistry
  • Colorado
  • Crystal Structure
  • Crystals
  • Electronic States
  • Elements
  • Military Research
  • Molecules
  • New Jersey
  • New York
  • Perturbation Theory
  • Spectra
  • Transition Metals
  • United States

Fields of Study

  • Physics

Readers

  • Materials Science and Engineering.
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • Space