کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5417425 | 1506917 | 2009 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Molecular interactions and normal vibrations of Fe-bis(trifluoromethanesulfonyl)imide and 1-ethyl-3-methylimidazolium-Fe-bis(trifluoromethanesulfonyl)imide ionic liquids: A density functional study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Molecular interactions and normal vibrations of Fe-bis(trifluoromethanesulfonyl)imide and 1-ethyl-3-methylimidazolium-Fe-bis(trifluoromethanesulfonyl)imide ionic liquids: A density functional study Molecular interactions and normal vibrations of Fe-bis(trifluoromethanesulfonyl)imide and 1-ethyl-3-methylimidazolium-Fe-bis(trifluoromethanesulfonyl)imide ionic liquids: A density functional study](/preview/png/5417425.png)
چکیده انگلیسی
Density functional theory is used to obtain the electronic structure and normal vibrations of Fe-bis(trifluoromethanesulfonyl)imide (1:1) and 1-ethyl-3-methylimidazolium-Fe-bis(trifluoromethanesulfonyl)imide (1:1:1) ionic liquids. Different conformers were simulated on the basis of molecular interactions in 1:1 and 1:1:1 systems. Strength of molecular interactions in the ionic liquids was correlated with frequency shifts of characteristic vibrations relative to the corresponding vibration in free anion. The outcomes of the theoretical calculations were qualitatively compared with the experimental results.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 906, Issues 1â3, 30 July 2009, Pages 78-82
Journal: Journal of Molecular Structure: THEOCHEM - Volume 906, Issues 1â3, 30 July 2009, Pages 78-82
نویسندگان
Nilesh R. Dhumal, Krishnan Damodaran,