کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1237795 968908 2008 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Crystal structure and photoluminescence of 7-(N,N′-diethylamino)-coumarin-3-carboxylic acid
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Crystal structure and photoluminescence of 7-(N,N′-diethylamino)-coumarin-3-carboxylic acid
چکیده انگلیسی

The structure of 7-(N,N′-diethylamino)-coumarin-3-carboxylic acid (DCCA) was verified by single crystal X-ray crystallography. The UV–vis absorption and fluorescence of DCCA were discussed. The compound exhibits strong blue emission under ultraviolet light excitation. The molecular structure of DCCA was optimized using density function theory (DFT) at B3LYP/6-31G level, showing that the optimized geometers parameters are in good agreement with experiment data. In addition, the HOMO and LUMO levels of DCCA were deduced.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 69, Issue 4, April 2008, Pages 1136–1139
نویسندگان
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