مشخصات پژوهش

صفحه نخست /The Effect of a Co(II) Ion on ...
عنوان
The Effect of a Co(II) Ion on the Electronic Properties of some New Salophen Type Ligands by Theoretical Study
نوع پژوهش مقاله ارائه شده
کلیدواژه‌ها
Transition Metal, Electronic Properties, Salophen Ligand
چکیده
Recently, there has been an increased interest in the chemistry of transition metal complexes containing N2O2 coordination sites such as salicylidenes. Salicylidenes such as salophens are easily prepared from condensation reaction of 1,2-phenylenediamine or their derivatives with salicylaldehyde. Salophen metal complexes are formed by the reaction of both main and transition metal ions. The preparation method of theses complexes are easy and simple. A variety of these complexes have found applications as optical and electroluminescent materials, catalytic and biological activities . Herein, the effect of Co(II) ion on the electronic properties of two new salophen ligands was experimentally and theoretically evaluated. To comparison of Co complexes with the ligands for potential use in optical devices such as solar cells, the energy of HOMO and LUMO orbitals was calculated at the DFT level. The results indicated band gaps of complexes decreases and so they can be used in organic electronics.
پژوهشگران زهره شقاقی سراسکانرود (نفر اول)، مینا خیراله پور (نفر دوم)، نفیس کلانتری (نفر سوم)