| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5389924 | Chemical Physics Letters | 2006 | 6 Pages |
Abstract
Structural effects on the second hyperpolarizability (γ) of singlet polycyclic phenalenyl radicals are investigated by the hybrid density functional theory method. A control scheme of γ for singlet polycyclic diphenalenyl radical compounds is proposed by adjusting the contribution of para/ortho-quinoid resonance forms and by modifying the central ring structures.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Masayoshi Nakano, Nozomi Nakagawa, Suguru Ohta, Ryohei Kishi, Takashi Kubo, Kenji Kamada, Koji Ohta, Benoît Champagne, Edith Botek, Hideaki Takahashi, Shin-ichi Furukawa, Yasushi Morita, Kazuhiro Nakasuji, Kizashi Yamaguchi,