Author:
H C Longuet-Higgins ,J A Pople
Abstract
The lower excited electronic states of some unsaturated hydrocarbon radicals and ions
are discussed in terms of molecular orbital theory, taking account of electron
interaction. The following results emerge:
In the absorption spectrum of an alternant radical there should appear two
long wavelength bands. These arise jointly from excitations of electrons
into and out of the singly occupied orbital. The lower frequency band should
be weak, and the higher frequency band relatively strong. The existence of a
low-lying quartet level is also predicted.
The absorption spectra of the corresponding anion and cation should be
closely related, the lowest two excited states being for both types of ion a
triplet and a singlet.
The singlet-triplet separation in the ions should be roughly equal to the
separation of the two low-lying doublets of the radical.
These generalizations are supported by the experimental data for certain
triaryl-methyl systems.
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