کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7843537 | 1506523 | 2017 | 16 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Solvation state of sodium tetraphenylborate in 3-methylpyridine and its aqueous solutions
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
The solvation states of the sodium ion (Na+) and the tetraphenylborate ion (BPh4â) in 3-methylpyridine (3MP) and its mixture with deuterium oxide (D2O) were investigated by Raman spectroscopy and DFT calculations. Raman spectra observed for the 3MP solutions systematically varied with increase in the amount of NaBPh4; the Raman band at 633 cm â1 weakened and that at 639 cm â1 strengthened with increase in the salt concentration. According to DFT calculations, the former was assigned to the 3MP molecule in the bulk and the latter to that bound to the Na+ ion. The number of 3MP molecules bound to Na+, n, was estimated to be 6.1, that is, a [Na(3MP)6] + complex was formed in the 3MP/NaBPh4 solution. On the other hand, n was estimated to be 1.6 in the D2O/3MP/NaBPh4 mixtures with Ï3MP = 0.50, where Ï3MP denotes the mole fraction of 3MP in the D2O/3MP mixtures. Furthermore, both integrated intensities at 633 cm â1 (free 3MP) and 640 cm â1 (hydrated 3MP by D2O) were almost independent of the salt concentration in the case of D2O/3MP mixtures with Ï3MP = 0.09. Additionally, the position of the other Raman bands at 609, 616, 626, and 672 cm â1, arising from BPh4â, were almost independent of Ï3MP between 1 and 0.09. These results suggest that Na+ is preferentially solvated with D2O, whereas BPh4â is preferentially solvated with 3MP in such mixtures.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 248, December 2017, Pages 53-59
Journal: Journal of Molecular Liquids - Volume 248, December 2017, Pages 53-59
نویسندگان
Koichiro Sadakane, Kenta Fujii, Seiji Tsuzuki, Hikari Watanabe, Yasuhiro Umebayashi,