کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1406428 | 1501830 | 2010 | 12 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Synthesis, structure, spectroscopic properties, and theoretical studies of alkaline earth metal complexes of 1,3-bis(carboxymethyl)benzimidazolium
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Alkaline earth metal complexes of 1,3-bis(carboxymethyl)benzimidazolium (HL) including [Mg(L)2(H2O)4]·2H2O (1), [Ca(L)2(H2O)4]·2H2O (2) and [Ba(L)2(H2O)2·2H2O]n (3) have been synthesized by a hydrothermal procedure and characterized by X-ray crystallography, spectroscopy and thermoanalysis. The results of X-ray crystallography revealed that complexes 1 and 2 are neutral monomers, while complex 3 is a polymeric species, and the carboxymethyl moiety of the deprotonated ligand (Lâ) acts as a bridge between metal ions. The spectroscopic properties of the complexes were evaluated through density functional theory (DFT) and time-dependent density functional theory (TD DFT) calculations. The results revealed that the absorption peaks in UV-Vis spectra were derived from ligand to ligand charge-transfer transitions (LLCT) and/or (p, Ï) â (Ïâ, Ïâ) intraligand charge-transfer (ILCT). HL and HL-based complexes displayed similar emission peaks in the near-UV region due to ligand-based LLCT. The results of the Fukui index of the complexes supported LLCT and ILCT mechanisms. In addition, the calculated value of the luminescence oscillator strength displayed a linear relationship with the charge distribution, and the DFT chemical reactivity index, and correlation coefficients (R2) of 0.999 and 0.996 were obtained, respectively. Thus, the results revealed that the emission strength of the complex can be controlled by coordinating the ligand to different metal ions.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 984, Issues 1â3, 15 December 2010, Pages 39-50
Journal: Journal of Molecular Structure - Volume 984, Issues 1â3, 15 December 2010, Pages 39-50
نویسندگان
Ling Huang, Ai-Guo Zhong, Ding-Ben Chen, Duan Qiu, Hua-Ding Liang,