Published September 20, 1979 | Version v1
Journal article Metadata-only

Deuterium isotope effect on the electron spin resonance spectrum of the cyclopentadienyl radical

Creators

  • 1. University Coll., London (UK). Dept. of Chemistry

Description

The e.s.r. spectrum shows that, in the radical C5H4D., the unpaired electron occupies the psisub(A) and psisub(S) molecular orbitals with the probability 0.515:0.485, which is consistent with a model which assumes a vibrational perturbation of the Hueckel resonance integral β. (author)

Additional details

Publishing Information

Journal Title
J. Chem. Soc. (London), Chem. Commun.
Journal Issue
no.18
Series
J. Chem. Soc. (London), Chem. Commun.
ISSN
0022-4936

INIS

Country of Publication
United Kingdom
Country of Input or Organization
United Kingdom
INIS RN
11498937
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
CYCLOPENTADIENE; DEUTERIUM; ELECTRON SPIN RESONANCE; ELECTRONIC STRUCTURE; ISOTOPE EFFECTS; MOLECULAR STRUCTURE; RADICALS; SPECTRA
Descriptors DEC
ALKENES; CYCLOALKENES; DIENES; HYDROCARBONS; HYDROGEN ISOTOPES; ISOTOPES; LIGHT NUCLEI; MAGNETIC RESONANCE; NUCLEI; ODD-ODD NUCLEI; ORGANIC COMPOUNDS; POLYENES; RESONANCE; STABLE ISOTOPES