Abstract
The orbitals of the ground state of a flat conjugated molecule are shown to be closely related to the orbitals of a certain excited state of the molecule. In this state, which is named the
standard
excited
state
, all the mobile electrons are in singly-occupied antisymmetrical or orbitals and have their spins parallel. These antisymmetrical orbitals can be transformed into equivalent orbitals which are each localized around one atom and so form a suitable basis for a method of calculating the ionization potentials of conjugated molecules. To illustrate the form of the equations obtained, the pyridine and aniline molecules are considered.
Reference7 articles.
1. Coulson C. A. 1047 Quart. Rev.1 144.
2. Proc. Roy;Hall G. G.;Soc. A,1951
3. Hall G. G. & Lennard-Jones Sir J. E. 1950 Proc. Roy. Soc. A 202 155(part III).
4. Hall G. G. & Lennard-Jones Sir J. E. 1951 Proc. Roy. Soc. A 205 357(part VII).
5. Proc. Roy;Lennard-Jones Sir J. E.;Soc. A,1949
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