کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1235922 | 1495287 | 2007 | 14 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Vibrational spectra, NMR and theoretical studies of the enantiomers and rotamers of alpha-cypermethrin
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Vibrational spectra, NMR and theoretical studies of the enantiomers and rotamers of alpha-cypermethrin Vibrational spectra, NMR and theoretical studies of the enantiomers and rotamers of alpha-cypermethrin](/preview/png/1235922.png)
چکیده انگلیسی
NMR, infrared and Raman vibrational spectra of alpha-cypermethrin have been measured at room temperature. Infrared spectra were also recorded to low temperature. The spectra were analyzed by means of ab initio calculations. The conformational space of both enantiomers and some rotamers A, B and C of alpha-cypermethrin has been scanned using molecular dynamics and complemented with functional density calculations that optimize the geometry of the lowest-energy conformers of each species as obtained in the simulations. The vibrational frequencies and the 1H and 13C NMR chemical shifts were assigned using functional density calculations. The molecular electrostatic potential maps were obtained and analyzed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 66, Issues 4–5, April 2007, Pages 1208–1221
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 66, Issues 4–5, April 2007, Pages 1208–1221
نویسندگان
Alicia H. Jubert, María L. Alegre, Reinaldo Pis Diez, Alicia B. Pomilio, Víctor D. Szewczuk,