Photoelectron Spectra of Molecules. II. The Ionization Potentials of Azabenzenes and Azanaphthalenes

作者：Michael J. S. Dewar, S. D. Worley · 发表于：The Journal of Chemical Physics · 年份：1969 · DOI：10.1063/1.1671718 · 被引用次数：83 · 研究领域：Inorganic and Organometallic Chemistry、Various Chemistry Research Topics、Chemistry and Chemical Engineering

The ionization potentials of pyridine, pyrazine, pyrimidine, pyridazine, quinoline, isoquinoline, quinoxaline, quinazoline, cinnoline, and phthalazine have been derived from molecular photoelectron spectra. Simple first-order perturbation theory and the MINDO SCF MO method have been employed in assigning the experimental first ionization potentials to ionization from a π or nonbonding energy level.