دراسة الخصائص الطیفیة والاهتزازیة للجزیئات الفثالوسیانین (C_32 H_18 N_8) و الفثالوسیانین-المغنیسیوم (C_32 H_16 MgN_8) باستخدام برامج الکم

نوع المقالة : بحث

المؤلفون

قسم الفیزیاء، کلیة التربیة للعلوم الصرفة، جامعة کرکوک، کرکوک، العراق.

الملخص

فی هذه الدراسة تم حساب الخصائص الطیفیة والاهتزازیة باستخدام طریقة الشبه التجریبیة، من خلال النتائج التی اظهرت طیف IR، اقل قیمة الطاقة الکلیة لجزیئة (H2Pc)  للآصرة (C16-H41)،  للآصرة (C27-H43)، لجزیئة (MgPc) تساوی  للآصرة (C17-H42) و  للاصرة (C28-H44)، والمسافة المتوازنة لکل جزیئة تساوی ( ). تمت مقارنة النتائج النظریة والعملیة لفجوة الطاقة، للجزیئة H2Pc کانت(5.67 eV) ، (5.04 eV) ، لجزیئة MgPc (5.043 eV)، ( 2.73 eV) على التوالی.

الكلمات الرئيسة


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