Abstract
Using density-functional theory and ZINDO-SOS method, we carry out a comparative study of the two-photon absorption (TPA) properties of a new octupolar compound-sumanene 3O derivative and relative molecules. The results indicate that the TPA cross sections of the octupolar compounds increase with the electron-accepting ability of the center. Sumanene 3O is a stronger electron-acceptor than 1,3,5-tri(nitro)benzene. Compared with the conventional octupolar compounds, the sumanene 3O derivative, which has the largest TPA cross section among the studied molecules here, is a more promising TPA material.
| Original language | English |
|---|---|
| Pages (from-to) | 199-205 |
| Number of pages | 7 |
| Journal | Optical Materials |
| Volume | 29 |
| Issue number | 2-3 |
| DOIs | |
| State | Published - Nov 2006 |
| Externally published | Yes |
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