Predissociation of the Schumann-Runge Bands of O2.

Abstract

The predissociation line broadening in the Schumann-Runge bands of O2 is explained by an ab initio calculation of the pertinent repulsive potential energy curves and spin-orbit matrix elements. The ab initio results provide an overall qualitative picture of the predissociation which is further refined through a detailed comparison with experiment. The dominant repulsive curve is also deduced by a deperturbation of the level shift in the second vibrational difference. The predissociation is dominated by the quintet Pi(u) state crossing the B triplet sigma (u)(-) state around 1.87A with a spin-orbit matrix element of 65/cm. The apparent experimental widths between v = 5 and 11 are shown to be inconsistent with the theoretical analysis, the difference probably being due to line blending.

Document Details

Document Type
Technical Report
Publication Date
Oct 01, 1974
Accession Number
ADA002438

Entities

People

  • M. Krauss
  • Paul S. Julienne

Organizations

  • United States Naval Research Laboratory

Tags

DTIC Thesaurus Topics

  • Blending
  • Cooperation
  • Crossings
  • Energy
  • First Principles Calculations
  • Potential Energy
  • Quantum Properties
  • Spin-Orbit Interaction
  • Standards

Fields of Study

  • Physics

Readers

  • Molecular Photonics/Laser Physics
  • Quantum Chemistry

Technology Areas

  • Space