کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1402918 | 1501772 | 2013 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Vibrational and conformational analysis on-N1-N2-bis((pyridine-4-yl)methylene) benzene-1,2-diamine
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The molecule N1-N2-bis((pyridine-4-yl)methylene)benzene-1,2-diamine (NBPMB) was synthesized and characterized by FT-IR, FT-Raman and UV-Vis., spectra. To identify the stable structure of the molecule meticulous conformational analysis was performed. The observed (FT-IR and FT-Raman) spectral frequencies were compared with harmonic wavenumbers. The vibrational assignments were performed on the basis of the total energy distribution (TED). The optimized geometrical parameters are calculated and compared with experimental results. The non-linear optical behavior NBPMB molecule is analyzed using hyperpolarizability calculation. The charge transfer within the molecule and biological activity of NBPMB were calculated.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1042, 24 June 2013, Pages 37-44
Journal: Journal of Molecular Structure - Volume 1042, 24 June 2013, Pages 37-44
نویسندگان
S. Subashchandrabose, C. Meganathan, Y. ErdoÄdu, H. Saleem, C. Jajkumar, P. Latha,