مشخصات پژوهش

عنوان	Synthesis, characterization and DFT/TD-DFT studies on molecular structure, vibration and absorption spectra of binuclear copper (II) complexes
نوع پژوهش	مقاله ارائه شده
کلیدواژه‌ها	copper (II), binuclear, DFT, TDDFT, absorption spectra
چکیده	In this work, binuclear copper(II) complex of [L(N3)Cu(μN,N-N3)2CuL(N3)], 1-2 (L1 = N,N-dimethyl,N'-benzyl-ethylenediamine, L2 = N,N-diethylyl,N'-benzyl-ethylenediamine) ) has been synthesized and structurally characterized. X-ray crystallography study of the complex reveals that the copper (II) center has a distorted octahedral environment [1]. The experimental studies on the compounds have been accompanied computationally by the density functional theory (DFT) calculations. We utilized DFT/TDDFT calculations to obtain a theoretical support for absorption spectr and particular coordination geometry being adapted around the metal ion center.
پژوهشگران	سارا کوهزاد (نفر دوم)، حمید گلچوبیان (نفر اول)