Electronic structure of the 1,3,5-tridehydrobenzene triradical in its ground and excited states

Abstract

The ground and low-lying electronic states of the 1,3,5-tridehydrobenzene triradical are characterized by electronic structure calculations. It is found that the ground state is the A1 doublet of C2v symmetry. Another doublet state lies 0.1–0.2 eV higher in energy, and the lowest quartet state of D3h symmetry is 1.2–1.4 eV higher in energy. Both doublets… (More)

Topics

10 Figures and Tables

Cite this paper

@inproceedings{Slipchenko2003ElectronicSO, title={Electronic structure of the 1,3,5-tridehydrobenzene triradical in its ground and excited states}, author={Lyudmila V. Slipchenko and Anna I. Krylov}, year={2003} }