Electronic Structures and Conformations of N-Benzylideneanilines. II. Photoelectron Spectral Study

Electronic structures and molecular conformations have been studied for N-benzylideneaniline and its 2-methyl, 2,6-dimethyl, and their 4-nitro derivatives by photoelectron spectroscopy. The lower energy bands are analyzed in detail, and the twist angles θN of the anilino benzene rings (ring A) about the carbon-nitrogen bonds are estimated by examining the effect caused by a methyl substitution. It is concluded that N-benzylidene-4-nitroaniline takes a more twisted conformation than N-benzylideneaniline.