کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1233615 968811 2011 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Experimental and theoretical study of three new benzothiazole-fused carbazole derivatives
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Experimental and theoretical study of three new benzothiazole-fused carbazole derivatives
چکیده انگلیسی

Three new D–π–A type compounds, each containing one benzothiazole ring as an electron acceptor and one N-ethylcarbazole group as electron donor, were synthesized and characterized by elemental analysis, NMR, MS and thermogravimetric analysis. The absorption and emission spectra of three compounds were experimentally determined in several solvents and were simultaneously computed using density functional theory (DFT) and time-dependent density functional theory (TDDFT). The calculated reorganization energy for hole and electron indicates that three compounds are in favor of hole transport than electron transport. The calculated absorption and emission wavelengths are well coincident with the measured data. The calculated lowest-lying absorption spectra can be mainly attributed to intramolecular charge transfer (ICT). And the calculated fluorescence spectra can be mainly described as originating from an excited state with intramolecular charge transfer (ICT) character. The results show that three compounds exhibited excellent thermal stability and high fluorescence quantum yields, indicating their potential applications as excellent optoelectronic material in optical field.

Figure optionsDownload as PowerPoint slideHighlights
► Compounds contain one benzothiazole ring as an electron acceptor and one N-ethylcarbazole group as electron donor.
► Compounds exhibit good thermal stability and high fluorescence quantum yields.
► Compounds might be used as fluorescent probe in biological systems.
► Compounds might be used as excellent optoelectronics materials in optical field.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 81, Issue 1, 15 October 2011, Pages 730–738
نویسندگان
, , , , , , , ,