کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5410067 | 1506553 | 2016 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Hydrogen bond in imidazolium based protic and aprotic ionic liquids
ترجمه فارسی عنوان
پیوند هیدروژنی در مایعات یونیک پروتئین و پروتئینی بر پایه ایامیدازولیوم
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
چکیده انگلیسی
Liquid structure of bis-(trifluoromethanesulfonyl)amide TFSAâ based protic and aprotic ionic liquids composed of imidazolium [h2Im+], N-methylimidazolium [C1hIm+] and N,N'-dimethylimidazolium [C1mIm+] were investigated by high-energy total scattering (HETS) experiments. The nearest neighboring cation-anon orientation variations by the N-methyl groups substitution to proton were suggested based on the peaks at around 6 and 9Â Ã
in the differential radial distribution functions as the form of r2{GX-ray(r) - 1} for these ionic liquids. It was supposed that the NH · · · O hydrogen bond causes the cation-anion orientation variations. To obtain further insight into the hydrogen bond in the PIL, MD simulations performed and agreed well with the experiments. According to spatial distribution functions (SDF) for the three ionic liquids, the O atom of TFSAâ prefers the NH hydrogen of the imidazolium that has the most positive partial atomic charge in the cation, while the F atom locates right above and right below the imidazolium ring plane. In addition, the NH · · · O hydrogen bond has short bond lengths and linear bond angles, while the C2H · ·O interaction is long and bent. The NH · · · O hydrogen bond in the PIL was discussed based on structural aspect accompanied by a thermodynamic viewpoint.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 217, May 2016, Pages 35-42
Journal: Journal of Molecular Liquids - Volume 217, May 2016, Pages 35-42
نویسندگان
Hikari Watanabe, Hiroyuki Doi, Soshi Saito, Masaru Matsugami, Kenta Fujii, Ryo Kanzaki, Yasuo Kameda, Yasuhiro Umebayashi,