Résumé
Remarkable enhancement of two-photon absorption (TPA) peak is theoretically predicted in symmetric open-shell singlet diradical systems with intermediate diradical character as compared to closed-shell and pure diradical systems. It is revealed that the largest TPA peak intensities occur for open-shell singlet diradicals having a ferromagnetically coupled ground state and strongly depend on the ratio between damping factors of the excited states. This result confirms that open-shell singlet conjugated molecules with intermediate diradical characters have precedence over conventional closed-shell conjugated systems in resonant third-order nonlinear optical properties.
langue originale | Anglais |
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Numéro d'article | 114316 |
journal | The journal of chemical physics |
Volume | 131 |
Numéro de publication | 11 |
Les DOIs | |
Etat de la publication | Publié - 1 déc. 2009 |