پديد آورنده :
كشاورزي پور، فريبا
عنوان :
سنتز و شناسايي نانو كاتاليست هاي مغناطيسي پوشش دار شده و حلال اتكتيك كولين كلرايد - زينك كلرايد و كاربرد آنها در سنتز چند جزئي هتروسيكل ها و بررسي نظري انتقال پروتون درون و بين مولكولي در سلنوباربيتوريك اسيد و فسفين اكسيدها
محل تحصيل :
اصفهان: دانشگاه صنعتي اصفهان، دانشكده شيمي
صفحه شمار :
بيست، 131ص.: مصور
استاد مشاور :
اكبر حيدري، سعيد امير اصلان زاده
توصيفگر ها :
شيمي سبز , توتومري
تاريخ نمايه سازي :
1394/11/07
استاد داور :
عيسي ياوري، شادپور ملك پور، كيامرث اسكندري
كد ايرانداك :
ID843 دكتري
چكيده انگليسي :
026Synthesis and characterization of coated magnetic nanocatalysts and choline chloride zinc chloride DES and employing them in the multicomponent synthesis of heterocycles Theoretical study of inter and intramolecular proton transfer in selenobarbituric acid and phosphine oxides Fariba Keshavarzipour f keshavarzipour@ch iut ac ir January 2016 Department of Chemistry Isfahan University of Technology Isfahan 84156 83111 I R Iran Degree PhD Language FarsiSupervisor Dr Hossein Tavakol Email hosein ta@yahoo com h tavakol@cc iut ac irAbstractIn the experimental section of this thesis we synthesized an inexpensive and biodegradableLewis acidic deep eutectic solvent DES DESs were based on mixturesof ammonium or Phosphonium salts with other combination to lower the melting point One potmulti component reactions due to their simple and mild reaction condition energy saving andenvironmental compatibility are very important in carbon carbon and carbon heteroatom bondformation Researches in organic chemistry have expanded the one pot multi componentreactions according to green chemistry purposes So we applied deep eutectic solvent cholinechloride zinc chloride in synthesis of Coumarin and Mannich In the next step Anenvironmentally friendly iron based catalyst supported on carrageenan with cation zincdecorated was successfully prepared and evaluated as heterogeneous catalysts for quinolinereaction The catalyst was simply recovered from the reaction mixture and recycled four times Next IPTMS Fe3O4 catalyst supported on deep eutectic solvent was successfully prepared Avariety of 2 amino 4H pyrans were synthesized This catalyst was magnetically separated recycled and reused up to four cycles In theory research a complete tautomery scheme and the reaction paths between tautomers ofselenobarbituric acid and phosphine oxide phosphinous acid have been studied using DFTcalculations with different environments including gas phase continuum solvent and solvent assisted models From the calculations molecular parameters relative energies of differenttautomers and kinetic and thermodynamic properties of tautomerism processes were obtained Moreover the effects of solvent on the equilibrium and rate constants have been investigatedusing solvent The calculations were performed using WB97XD CAMB3LYP and B3LYPmethods with the AUG CC PVTZ basis set The geometry optimization of the transition stateswas performed using QST3 method as implemented in Gaussian 09 started from the fullyoptimized structure of one tautomer and finished on the fully optimized structure of anothertautomer Solvent effects could be integrated in this study by two ways In the first way direct explicit solvent effect and the second way indirect implicit solvent effect the effect of solventis approximated by using the SCRF method based on the PCM model Generally in the solvent assisted mechanism thermodynamic values were comparable with in simple tautomerism
استاد مشاور :
اكبر حيدري، سعيد امير اصلان زاده
استاد داور :
عيسي ياوري، شادپور ملك پور، كيامرث اسكندري
