The electronic structure and other properties of 21 coumarin derivatives ha
ve been investigated by a combination of experimental and theoretical metho
ds: UV photoelectron spectra (UPS), UV/VIS spectroscopy and semi-empirical
MO calculations. The influence of substituents on the properties of coumari
n derivatives is discussed and some predictions of unknown properties are m
ade. One of our coumarins has the lowest ionization energy (6.87 eV) yet re
ported for any coumarin. (C) 2000 Elsevier Science B.V. All rights reserved
.