کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1322225 1499867 2015 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
An unsymmetrical ferrocene based azine and its Cu(II) complex: Spectroscopy, crystal structure, electrochemistry and DFT calculations
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
An unsymmetrical ferrocene based azine and its Cu(II) complex: Spectroscopy, crystal structure, electrochemistry and DFT calculations
چکیده انگلیسی


• A new ferrocenyl-substituted azine ligand and its Cu(II) complex have been prepared.
• The structures were characterized by X-ray and spectroscopic techniques.
• Redox behaviors of the compounds have been investigated by cyclic voltammetry.
• The electronic transitions were calculated by DFT and TD-DFT/CPCM methods.

An unsymmetrical ferrocenyl-substituted azine ligand and its Cu(II) complex have been prepared in this study. The redox active ferrocene-based azine ligand was obtained by condensation of 2-methanehydrazonoylphenol and ferrocenecarboxaldehyde. Structures of the ligand and its Cu(II) complex have been characterized by IR, UV–vis, NMR, X-ray, magnetic measurements and TG techniques. Redox behaviors of the ligand and its Cu(II) complex have been investigated by cyclic voltammetry. Structural parameters and spectroscopic properties of the azine ligand containing ferrocenyl unit and its Cu(II) complex were calculated by DFT and TD-DFT/CPCM methods and compared with the experimental results.

The electronic transitions were calculated by using the time dependent density functional theory with the CPCM method. The experimentally observed UV-vis bands were identified with FMOs obtained by theoretical calculations.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Organometallic Chemistry - Volume 775, 1 January 2015, Pages 80–87
نویسندگان
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