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صفحه اصلی
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بیست و نهمین کنفرانس شیمی آلی ایران
Prepraition charge-transfer complex and investigation of its physico chemical properties through mechanical quantum method
نویسندگان :
Nasrin Azizi Balabeigloo ( دانشگاه آزاد اسلامی واحد اردبیل ) , Vahideh Hadigheh Rezvan ( دانشگاه آزاد اسلامی واحد اردبیل )
کلید واژه ها :
Charge transfer complexes،Electrons acceptor--donor،DFT،Melamine
چکیده مقاله :
The chemistry of charge transfer (CT) complexes has become important in materials and biological science in recent years. CT complexes show a vital characteristic in the area of electric and optical properties [1-3]. The new chemistry of the hydrogen-bonded charge and proton transfer complex (HB CT) between electron-donor Melamine and electron-acceptor para-Nitro benzoic acid has been studied using electronic absorption spectroscopy in aqua media (Scheme 1).The HBCT complexstructure was confirmed by different characterization techniques, such as FT-IR, NMR, TGA-DTA, and SEM-EDX analysis. Computational analysis was carried out by DFT studies using the B3LYP function with a basis set of 6-311G*(d,p) in the gas phase analysis. The computational studies further supported the experimental results by confirming the charge and proton transfer complex.
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