کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1406468 | 1501830 | 2010 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structural, spectroscopic and theoretical studies of short OHO hydrogen bonds in 2:1 complexes of 1-methyl-6-oxyquinolinium betaine with mineral acids
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Bis(1-methyl-6-oxyquinolinium) hydroiodide, (6QB)2HI (1), has been characterized by X-ray diffraction, B3LYP calculations, FTIR and NMR spectroscopy. The complex crystallizes in triclinic P 1¯ space group. A pair of 6QB molecules is bridged by the O·H·O hydrogen bond of 2.450(2) Ã
. The anion I- electrostatically interacts with both positively charged nitrogen atoms of the neighboring 6QB molecules. The isolated entities of the complex were analyzed at the B3LYP/6-311G(d,p) level of theory in order to determine the influence of counter ions (Xâ = Iâ, Brâ, Clâ and ClO4-) on the hydrogen bond in (6QB)2HX (2-5). The FTIR spectra of (6QB)2HI and (6QB)2HClO4 show a broad and intense absorption in the 1500-400 cmâ1 region, typical for short hydrogen bonds. Both 1H and 13C chemical shifts depend on the acid-base stoichiometry and counter ions.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 984, Issues 1â3, 15 December 2010, Pages 326-331
Journal: Journal of Molecular Structure - Volume 984, Issues 1â3, 15 December 2010, Pages 326-331
نویسندگان
P. BarczyÅski, A. Komasa, M. Ratajczak-Sitarz, A. Katrusiak, Z. Dega-Szafran, M. Szafran,