کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
6493063 44040 2011 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
An ab initio simulation of a dithienylethene/phenoxynaphthacenequinone photochromic hybrid
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی بیو مهندسی (مهندسی زیستی)
پیش نمایش صفحه اول مقاله
An ab initio simulation of a dithienylethene/phenoxynaphthacenequinone photochromic hybrid
چکیده انگلیسی
We simulate the properties of a photochromic blend synthesized by Myles, Wigglesworth and Branda [Adv. Mater. 15 (2003) 745] using ab initio tools. This hybrid multi-addressable molecular switch contains a dithienylethene moiety linked to a phenoxynaphthacenequinone group and exhibits four isomers with distinguishable excited-state features. In the first part of this work, we investigate the properties of model (isolated) dithienylethene and phenoxynaphthacenequinone photochromes, with a focus on the second family that was not fully characterized theoretically previously. In the second stage, the spectral properties of the blend are evaluated with the help of (Time-Dependent) Density Functional Theory.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Photochemistry and Photobiology A: Chemistry - Volume 218, Issue 1, 5 February 2011, Pages 33-40
نویسندگان
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