Theoretical Description of the doublet A'' and doublet A' States of the Peroxyformyl Radical.

Abstract

The authors use simple orbital ideas to describe the lowest two (doublet A'' and doublet A') of the peroxyformyl radical and report ab initio Hartree-Fock calculations for these states. It was found that both states may be formed exothermically by association of O2 and HCO in their ground states; however, the excited state may decompose readily to OH and CO2. The possible role of such processes in oxidation of aldehydes is discussed.

Document Details

Document Type
Technical Report
Publication Date
Jan 30, 1976
Accession Number
ADA021067

Entities

People

  • Charles F. Bender
  • Nicholas W. Winter
  • William Andrew Goddard III

Organizations

  • The Aerospace Corporation

Tags

DTIC Thesaurus Topics

  • Aldehydes
  • Atomic Energy Levels
  • Atomic Properties
  • Atomic Structure
  • Chemical Compounds
  • Chemical Reactions
  • Ground State
  • Oxidation

Fields of Study

  • Physics

Readers

  • Organic Chemistry
  • Quantum Chemistry

Technology Areas

  • Space
  • Space - Space Objects