Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5417996 | Journal of Molecular Structure: THEOCHEM | 2007 | 9 Pages |
Abstract
In this paper, one- and two-photon absorption properties as well as the transition nature of a series of donor-Ï-acceptor-type compounds with trivalent boron as an acceptor have been theoretically studied by using INDO/SDCI method. Our calculations indicate that the four o-methyl moieties on the two mesityl groups play an important part in protecting the trivalent boron from being attacked by oxygen in the air. The trivalent boron containing group can be an all-right electron-acceptor with some bulky groups attached to it. On the basis of geometry optimization and UV-vis spectra, the positions and strengths of two-photon absorption for these molecules were reported.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Na Lin, Xian Zhao, Xiu-Feng Cheng, Min-Hua Jiang,