کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7810475 | 1501766 | 2013 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Solvation structure of iron group metal ion in TFSA-based ionic liquids investigated by Raman spectroscopy and DFT calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Solvation structures of the iron group metal ion (M(II) = Fe(II), Co(II) and Ni(II)) in bis(trifluoromethyl-sulfonyl)amide type ILs have been researched by UV-Vis, Raman spectra and DFT calculations. In order to investigate the coordination structure, UV-Vis spectra of divalent iron group metal ions in TFSA-based ILs compared with corresponding aqua complexes of each metal ion. Raman spectra of Fe(II), Co(II) and Ni(II) on the concentration range of 0.23-0.59 mol kgâ1 in TFSA-based ILs were measured at room-temperature and 150 °C. Moreover, the geometries and SCF energies of [Fe(cis-TFSA)3]â and [Fe(trans-TFSA)3]â were also examined using the theoretical DFT calculations because it was known that the TFSAâ anion involves two conformers of cis and trans symmetries in equilibrium. The results enabled us to indicate that three TFSAâ anions were bidentate ligand by two O atoms to the M2+ ion in TFSA-based ILs. Furthermore, DFT calculations were revealed that the trans-conformer was preferred to the cis-conformer in the vicinity of the Fe2+ ion.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1048, 24 September 2013, Pages 59-63
Journal: Journal of Molecular Structure - Volume 1048, 24 September 2013, Pages 59-63
نویسندگان
Masahiko Matsumiya, Yoichi Kamo, Katsunori Hata, Katsuhiko Tsunashima,