کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7810482 | 1501766 | 2013 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural, spectral, optical and antimicrobial properties of synthesized 1-benzoyl-3-furan-2-ylmethyl-thiourea
ترجمه فارسی عنوان
خواص ساختاری، طیفی، اپتیکی و ضد میکروبی سنتز 1-بنزویل-3-فوران -2 -یلمیلتایورا
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
چکیده انگلیسی
The 1-benzoyl-3-furan-2-ylmethyl-thiourea (bftu) was synthesized and its structure was determined by elemental analyses, IR spectroscopy, 1H and 13C NMR spectroscopy and single crystal X-ray diffraction analysis. Also its antimicrobial activity was determined. We analyzed the optimized geometric structure and energies of bftu in the ground state as theoretically. Theoretical calculations were performed at the DFT level. Selected experimental bands were assigned and characterized on the basis of the scaled theoretical wavenumbers by their total energy distribution (TED). The nuclear magnetic resonance (NMR) chemical shifts of bftu molecule were calculated using the gauge-invariant-atomic orbital (GIAO) method in acetone solution and compared with the experimental data. The dipole moment, linear polarizability and first hyper polarizability values were also computed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1048, 24 September 2013, Pages 69-77
Journal: Journal of Molecular Structure - Volume 1048, 24 September 2013, Pages 69-77
نویسندگان
Fatma Karipcin, Murat Atis, Bahtiyar Sariboga, Hasan Celik, Murat Tas,