کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5417701 | 1506935 | 2008 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Solvent effects on the absorption/emission spectra of an organic chromophore: A theoretical study
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Solvent effects on the absorption/emission spectra of an organic chromophore: A theoretical study Solvent effects on the absorption/emission spectra of an organic chromophore: A theoretical study](/preview/png/5417701.png)
چکیده انگلیسی
Parameter-free electronic-structure calculations within density-functional theory on a BODIPY dye have been carried through. Special emphasis is put on excitation and emission properties and how those change upon the inclusion of solvation effects. For the latter, both explicit and implicit models (and combinations thereof) have been considered. The results of the calculations are compared to experimental values. It is argued that so-called dual chromophore dyes containing a central BODIPY building block and a conjugated sidegroup have interesting optical properties.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 866, Issues 1â3, 15 October 2008, Pages 15-20
Journal: Journal of Molecular Structure: THEOCHEM - Volume 866, Issues 1â3, 15 October 2008, Pages 15-20
نویسندگان
Oliver Clemens, Matthias Basters, Mandy Wild, Sabine Wilbrand, Christian Reichert, Michael Bauer, Michael Springborg, Gregor Jung,