کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1250553 | 970839 | 2011 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Detection of relative dimer and rotamer concentrations of diacetamide in different solvents by FT-IR spectroscopy and DFT calculations
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
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چکیده انگلیسی
The relative rotamer, dimer and tautomer concentrations of diacetamide have been studied by means of infrared spectroscopy, with the recorded spectra being analyzed employing results from density functional theory calculations. It is observed that the cis-trans monomeric form of diacetamide (1) is found to be the most stable isomer in all studied solvents, with trans-trans diacetamide (2) being found to be 20% of total diacetamide in methanol. While the dimer form of diacetamide (3) is present only in carbontetrachloride (about 34% of the total), its tautomeric forms (4, 5) are not favorable in any of the studied solvents.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Vibrational Spectroscopy - Volume 57, Issue 2, November 2011, Pages 294-299
Journal: Vibrational Spectroscopy - Volume 57, Issue 2, November 2011, Pages 294-299
نویسندگان
Sedat Karabulut, Hilmi Namli, Massimo Mella,