کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1497065 992984 2007 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A new class of push–pull molecules for molecular electronics
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
A new class of push–pull molecules for molecular electronics
چکیده انگلیسی

In this work, we have found that large conjugated pyridinium betaines, molecules composed by a donor (D) and acceptor (A) pair connected through a long conjugated chain, exhibit an inversion in the expected direction of the electron transfer resulting from photoexcitation. Once the connecting bridge is increased beyond a given size, the electron transfer is predicted to occur in a reversed manner, i.e. from the acceptor to the donor side of the molecule. This effect seems to be associated to an inversion of the spatial localization of the frontier molecular orbitals. We present results for the spatial localization of the frontier molecular orbitals and the theoretical absorption spectra of members of increasing size of a specific family of pyridinium betaines.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Optical Materials - Volume 29, Issue 8, April 2007, Pages 1010–1013
نویسندگان
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