Quadratic Jahn-Teller Coupling in Octahedral Systems.

Abstract

In this paper Jahn-Teller vibronic coupling calculations are presented for the general case (gamma(8g) x e(g)) in O(h) symmetry. The Hamiltonian employed is complete up to terms quadratic in vibrational coordinates q(theta) and q(epsilon) which span the v(2)(eg) mode of MF6 systems. Calculational details are discussed. It is concluded that, in agreement with previously reported spectroscopic data for ReF6 and IrF6, quadratic terms in the vibronic interaction are essential (both qualitatively and quantitatively) to the complete understanding of intrastate vibronic coupling in transition metal hexafluorides. (Author)

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Mar 01, 1978
Accession Number
ADA052755

Entities

People

  • Elliot R. Bernstein
  • J. D. Webb

Organizations

  • Colorado State University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • California
  • Chemistry
  • Colorado
  • Eigenvectors
  • Electronic States
  • Metals
  • Military Research
  • New Jersey
  • New York
  • Perturbation Theory
  • Perturbations
  • Quantum Numbers
  • Security
  • Symmetry
  • Transition Metals
  • United States
  • Vibration

Fields of Study

  • Physics

Readers

  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.