Electronic Structure of Diene and Polyene Radical Cations

Abstract

Introduction Photoelectron ( PE ) Spectroscopy Excited States of Polyene Radical Cations by Other Methods Acknowledgements

Unveiling New Isomers and Rearrangement Routes on the C7H8+ Potential Energy Surface

“…All transitions correspond to either A-type transitions, which consist of promotion of an electron from the highest doubly occupied molecular orbital to the singly occupied molecular orbital (SOMO), or B-type transitions, which involve promotion of an electron from the SOMO to unoccupied molecular orbitals (in our case to the lowest unoccupied molecular orbital (LUMO)). Therefore, the assignments for transitions which have not been observed previously are based on qualitative arguments founded on similarities with the π system chromophore of conjugated and nonconjugated diene and polyene radical cations. − …”