کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5160062 | 1501668 | 2017 | 12 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Synthesis, spectroscopic and photophysical studies of xanthene derivatives
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
We report on the experimental, crystal structure and computational investigation of a new class of xanthenes obtained by the reaction of salicylaldehyde and its derivatives with, 5,5-Dimethylcyclohexane-1,3-dione (Dimedone). The synthesized xanthenes were characterized by state-of-the-art techniques, such as IR, Raman, 1H and 13C NMR, Single Crystal X-ray crystallography, UV-Vis and photophysical measurements. The structure, ground- and excited-state properties of one xanthene derivative was investigated using Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) calculations with and without solvent (ethanol). The optimized geometries and predicted IR frequencies were in good agreement with experimental data. Hirshfeld surface analyses were carried out to gain insight on the close-contact interactions of the crystal, where hydrogen showed the highest contribution (66.1%). The synthetic route proposed in this work does not use any catalysts and leads to high yields (75-85%), therefore being an interesting alternative to synthesize xanthene derivatives.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1149, 5 December 2017, Pages 862-873
Journal: Journal of Molecular Structure - Volume 1149, 5 December 2017, Pages 862-873
نویسندگان
Mohammad Ramezani Taghartapeh, Nader Noroozi Pesyan, Hamid Rashidnejad, Hamid Reza Khavasi, Alireza Soltani,