Abstract
The electronic spectrum and ionization potential of phenothiazi, ne were calculated parametrizing the angle of fold between the two lateral benzene planes on the basis of the Pariser-Parr-Pople SCF-MO-CI method, and the calculated results at the dihedral angles in a range of the values determined by other methods were found to be in good agreement with the observed spectral data. Also, the all valence-electronic structure, especially the hybridization state of the valence-atomic orbitals of the heteroatoms, was calculated using the extended Hiickel method in order to compare the electronic structures of the two possible spacial configurations with respect to the position of the proton attached to the nitrogen atom.
