P. Swiderek et al., ELECTRON-ENERGY-LOSS SPECTROSCOPY OF THE LOW-LYING TRIPLET-STATES OF STYRENE, The Journal of chemical physics, 100(1), 1994, pp. 70-77
Low-energy electron-energy-loss spectra of styrene deposited on a thin
film of solid argon are measured at a temperature of 15 K. The spectr
a show vibrationally resolved bands in the region of the lowest valenc
e transitions thus allowing to locate the 0-0 transition to the lowest
triplet state at 2.69 eV. The second triplet state of styrene is dete
cted for the first time with a 0-0 transition at 3.98 eV. Semiempirica
l calculations are performed to characterize the bands observed in the
spectrum considering the nomenclature of Platt. They suggest that the
lowest triplet state has the same spacial wave function as the second
singlet state and is closely related to 3L(a) benzene. The second tri
plet state which has most likely B(a) character cannot directly be rel
ated to a specific singlet state because the B(a) and B(b) states are
found to mix strongly in the singlet manifold whereas among the triple
ts they do not.