کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1406439 | 1501830 | 2010 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
1-Pentyl-3-(4-methoxy-1-naphthoyl)indole and 2-(2-methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-ethanone: X-ray structures and computational studies
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: 1-Pentyl-3-(4-methoxy-1-naphthoyl)indole and 2-(2-methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-ethanone: X-ray structures and computational studies 1-Pentyl-3-(4-methoxy-1-naphthoyl)indole and 2-(2-methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-ethanone: X-ray structures and computational studies](/preview/png/1406439.png)
چکیده انگلیسی
1-Pentyl-3-(4-methoxy-1-naphthoyl)indole (shortly named JWH-081) (1) and 2-(2-methoxy-phenyl)-1-(1-pentyl-1H-indol-3-yl)-ethanone (shortly named JWH-250) (2), are examples of cannabinoids which were characterized by FTIR, UV-Vis, multinuclear NMR spectroscopy and single crystal X-ray diffraction method. The geometries of the studied compounds were optimized in singlet states using the density functional theory (DFT) method with B3LYP functional. Electronic spectra were calculated by TDDFT method. In general, the predicted bond lengths and angles are in a good agreement with the values based on the X-ray crystal structure data.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 984, Issues 1â3, 15 December 2010, Pages 125-130
Journal: Journal of Molecular Structure - Volume 984, Issues 1â3, 15 December 2010, Pages 125-130
نویسندگان
Jacek E. Nycz, Grzegorz Malecki, Marcin Zawiazalec, Tadeusz Pazdziorek, Patrycja Skop,