The effect of conformation on the ionization energetics of n-butylbenzene. II. A zero electron kinetic energy photoelectron spectroscopy study with partial rotational resolution

Abstract

ZEKE photoelectron spectroscopy was employed to obtain partially rotationally resolved band contours for the D0←S1 transition of two distinctive conformers of n-butylene. The spectra were analyzed using a newly developed spectator model providing both rotational constants and information on ionization induced electronic structure changes. This analysis represents the first determination of the geometric structure of two relatively large cationic conformers using a rotational analysis.