کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5417996 1506959 2007 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Quantum chemical investigation on one- and two-photon absorption properties for a series of donor-π-acceptor-type compounds with trivalent boron as an acceptor
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Quantum chemical investigation on one- and two-photon absorption properties for a series of donor-π-acceptor-type compounds with trivalent boron as an acceptor
چکیده انگلیسی
In this paper, one- and two-photon absorption properties as well as the transition nature of a series of donor-π-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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 820, Issues 1–3, 15 October 2007, Pages 98-106
نویسندگان
, , , ,