Author name:
اسراء محمد راضي
Supervisor name:
تقي الدين عبد الهادي حمدان
Abstract:
تضمن البحث تحضير وتشخيص استرات وبوليمرات مختلفة جديدة عن طريق تحضير مركبات الكيلية اوروماتية حاملة لمجاميع الهيدروكسيل عن طريق مفاعلة الكليسيرول مع (الريسورسينول , الكاتيكول , الهايدروكوينون ) بشكل منفصل.تم اجراء دراسة نظرية لنواتج الالكلة وبعض نواتج ال | This research includes the synthesis and Identification of new esters and polymers via new alkyl Aromatic containing hydroxyl groups. These compounds was prepared by reacting of glycerol with (resorcinol, catechol, hydroquinone) separately.A theoretical study For the products of alkylation and Polymers was conducted and compared with results.This Work includes the following : - first step : - Alkylation of cyclic compounds (resorcinol, catechol, hydroquinone) with glycerol to produce.2 - (2,4 - dihydroxyphenyl)propane - 1,2,3triol (H1) 2 - (2,5 - dihydroxyphenyl)propane - 1,2,3triol (H2) 2 - (3,4 - dihydroxyphenyl)propane - 1,2,3triol (H3)The resulting compounds were Identified by different techniques (FT - infrared spectra IR, NMR spectrum magnetic (1H - NMR, 13C - NMR) and Elemental analysis (CHN).Some physical properties of these compounds were studied.Step Two : - This step in clndes the preparation of ester compounds (Es1 - Es6) via reacting (H1, H2, H3) with Dicarboxylic Acid (malonic, Succinic) The resulting compounds were identified by different techniques physical properties of these compounds were studied Step Three : - Compounds (H1,H2,H3)were polymerized to produce new polymers (p1 - p9) via reacting with anhydride (maleic , phallic and succinic) by melting reaction (200 - 250) C.These Polymers were studied and Identified by different chniqnes including (FT - infrared spectrum, DSC, DLS, and studying solubility in different organic solvents, and measuring the percentage of swelling.Step Four : - The theoretical simulation of alkylation reaction of compounds (resorcinol, hydroquinone and catechol) with glycerol in existence of silicate aluminum were condncted. The transitional situation of these reactants and estimated energy values that leads to the suggestion interactive pathways, where studied. The prepared compounds (H1, H2, H3) were found haning a low value of total energy ( - 390.240 , - 390.232, - 390.251kCal \ mol), respectively, The study also these compounds possass less ? gab values (1.515,1.23, 0.68ev) respectively which was calculated density function calculations of DFT (minimal - STO - 3G).The comparison between the theoretical and obtained values of these compounds were conducted.The theoretical simulation of polymerization reaction (H1, H2, H3) to produce the polymers (p1,p4,p7)were done.The third is the most possible be cause it has the lowest values of total energy( - 126.625, - 126.491 , - 125.814 kCal\mol), respectively, and also has the lowest ?gab values (8.31,7.03.7.088ev).Polymers (p1,p4,p7) are theoretical produced by ring closure reaction and reaction and the possible energy values of these reactants are ( - 222.444, - 222.443, - 190288.29 kCal \ mol) calculated by semi - empirical calculations PM3.in conclusion, these polymers are formed through condensation reaction but not cyclic closure reaction.
