Magnetic circular dichroism spectra and photoelectron spectra of tricycloquinazoline

Abstract

The magnetic circular dichroism (m.c.d.) and He(I) photo-electron (p.e.) spectra of tricycloquinazoline (1) were measured. The electronic absorption bands of 1 were assigned by using the m.c.d. spectra and the results of SCF-π-MO calculation. Based on the orbital energies calculated by several semi-empirical MO methods, the p.e. spectra of 1 were assigned. As the first ionization potential originated from the π-MO and its value was low, it was observed as expected that molecule 1 had strong π-electron-donating power.