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العنوان
PREPARATION, charACTERIZATION AND THEORETICAL STUDIES OF SOME TRANSITION METAL ION COMPLEXES /
المؤلف
Afifi, Manal Ahmed Mahmoud.
هيئة الاعداد
باحث / منال احمد محمود عفيفى
مشرف / سمير مصطفى حسن المدنى
مناقش / حسين محمد مصطفى
مناقش / عمرو عبدالنبى عيسوى
الموضوع
Preparation for the professions.
تاريخ النشر
2014.
عدد الصفحات
165 p. :
اللغة
الإنجليزية
الدرجة
ماجستير
التخصص
الكيمياء
تاريخ الإجازة
10/10/2014
مكان الإجازة
جامعة الفيوم - كلية العلوم - Department of Chemistry
الفهرس
Only 14 pages are availabe for public view

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Abstract

The complexes of Sm(III) and Tb(III) with 2-
aminobenzate (anthranilate ion, AA-) and 2-amino-5-chlorobenzate
(5-chloroanthranilate ion, AACl-) were synthesized and
characterized based on elemental analysis, IR and mass
spectroscopy. The data are in accordance with 1:3 [Metal] :
[Ligand] ratio. On the basis of the IR analysis, it was found that the
metals were coordinated to bidentate AA- via the ionized oxygen of
the carboxylate group and to the nitrogen of amino group. While in
5-chloroanthranilate complexes, the metals were coordinated
oxidatively to the bidentate carboxylate group without bonding to
amino group; accordingly, a chlorine affected coordination and
reactivity-diversity was emphasized. Thermal analyses(TGA) and
biological activity of the complexes were also investigated. Density
Functional Theory (DFT) calculations at the B3LYP/6-311++G (d,
p)_ level of theory have been carried out to investigate the
equilibrium geometry of the ligand. The optimized geometry
parameters of the complexes were evaluated using SDDALL basis
set. Moreover, total energy, energy of HOMO and LUMO and
Mullikan atomic charges were calculated. In addition, dipole
moment and orientation have been performed and discussed.