کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1405236 | 1501712 | 2016 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Experimental and DFT characterization of the organic-inorganic monohydrated Co(II) complex with 2,6-diaminopyridine ligand, (C5H8N3)2[CoBr4]·H2O
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Experimental and DFT characterization of the organic-inorganic monohydrated Co(II) complex with 2,6-diaminopyridine ligand, (C5H8N3)2[CoBr4]·H2O Experimental and DFT characterization of the organic-inorganic monohydrated Co(II) complex with 2,6-diaminopyridine ligand, (C5H8N3)2[CoBr4]·H2O](/preview/png/1405236.png)
چکیده انگلیسی
Single crystals of the new organic-inorganic compound (C5H8N3)2[CoBr4]·H2O were grown by hydrothermal technique and characterized by X-ray diffraction, infrared absorption, raman spectroscopy scattering, optical absorption and thermal analysis. The title compound belongs to the triclinic space group P1¯ and in the crystal structure, the inorganic layers are built from tetrabromidocobaltate anions [CoBr4]2â and free water molecules, linked together by O-Hâ¯Br hydrogen bonds and halogen···halogen interactions. The organic cations are intercalated between the mineral layers via N-Hâ¯Br hydrogen bonds and form chains through Ïâ¯Ï interactions. Theoretical calculations were performed using density functional theory with the B3LYP/LanL2DZ level for studying the molecular structure and vibrational spectra of the title compound. Good consistency is found between the calculated results and the experimental structure, IR and Raman spectra. The optical properties were investigated by optical absorption showing Ligand-to-Metal Charge-Transfer transitions in the visible region and organic related ÏâÏ* transitions in the UV region.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1105, 5 February 2016, Pages 16-24
Journal: Journal of Molecular Structure - Volume 1105, 5 February 2016, Pages 16-24
نویسندگان
Noureddine Mhadhbi, Salem Saïd, Slim Elleuch, Tadeusz Lis, Houcine Naïli,