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Article
Theoretical IR spectroscopic study of Copper Phthalocyanine (CuPc)

Author: M. T. Hussein
Journal: AL-NAHRAIN JOURNAL FOR ENGINEERING SCIENCES مجلة النهرين للعلوم الهندسية ISSN: 25219154 / eISSN 25219162 Year: 2008 Volume: 11 Issue: 2 Pages: 303-306
Publisher: Al-Nahrain University جامعة النهرين

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Abstract

The mobile π electron of Phthalocyanine can serve as current carries and provide the basis for semiconductor properties and to increase the current carries by substituting with Copper metal. The modes of vibration recorded for CuPc were (165) with vibrational frequencies recorded in the region (15- 3080)cm-1,intensity and symmetry for each mode were interpreted on the basis of using HyperChem 6.0 semi-empirical molecular orbital of self consistent field of MNDO method (Modified Neglected of Differential Overlap) of parameterization PM3 involving a quantum mechanical semi-empirical Hamiltonian with restricted and unrestricted Hartree-Fock approximation. The high occupied molecular orbital (HOMO) and low unoccupied molecular orbital (LUMO) were (-4.986 and -2.222)eV respectively. The energy gap calculation (∆E) was (2.764) eV, the ionization potential (I.P.) was (4.986) eV and electron affinity (E.A.) was (2.222)eV . Other characteristic such as dipole moment, the charge density and electrostatic potential were plotted with a contour diagram, using both two and three dimensions. The results suggest that CuPc has anomalous behavior than metal-free phthalocyanine H2Pc. Such behavior was ascribed to the bonding nature of the central Cu ion differing from that of other metal derivatives. We can suggest that CuPc has attracted much attention as a potential candidate for device applications.


Article
Spectroscopic Study Of Light Curve And Physical Properties For SN2010jl
دراسة طيفية للمنحني الضوئي والخواص الفيزيائية للمستعرة SN2010JL العظمى

Authors: Adil N. Ayyash --- Zeyad A. Saleh زياد عدنان صالح
Journal: Journal of university of Anbar for Pure science مجلة جامعة الانبار للعلوم الصرفة ISSN: ISSN: 19918941 Year: 2013 Volume: 7 Issue: 1 Pages: 134-140
Publisher: University of Anbar جامعة الانبار

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Abstract

Abstract:In this work, The physical properties were studies for ( supernova 2010jl) - which discovered on 2010 Nov. 3 - depending on (Oort Model ), optical spectrum curve and by applying special mathematical equations. The physical properties represented by explosion energy, initial velocity of ejecta, mass of ejecta, mass of 56Ni, distance from the earth, radius of ejecta, the momentum, expansion velocity and the age. Also, temperature of black body of SN2010jl during photospheric phase were calculated depending on data taken from optical spectrum curve and by applying special mathematical equation. The curve between temperature of black body and time in days were plotted, rang of temperature between (7300 °k – 9700 °k ) noticed.

في هذا البحث تم دراسة بعض الخواص الفيزيائية للمستعرة العظمى (SN2010jl) والمكتشفة بتاريخ ( 2010 Nov. 3) بالاعتماد على النموذج النظري المسمى (أورت موديل ) والمنحني البصري ومعادلات رياضية خاصة. تمثلت الخواص بكل من طاقة الانفجار، السرعة الابتدائية للمقذ وفة ، كتلة المقذوفة ، كتلة النظير الاشعاعي (56Ni) ، البعد عن الارض، نصف قطر المقذوفة ، الزخم، سرعة التمدد اضافة الى العمر . كذلك تم حساب حرارة الجسم الاسود للمستعرة (SN2010jl) بالاعتماد على بيانات مستنتجة من المنحني الضوئي البصري وبتطبيق معادلة رياضة خاصة . بعدها تم رسم علاقة بيانية مابين حرارة الجسم الاسود والزمن بالايام وجد ان قيم الحرارة تقع في المدى مابين (°K 9700 -7300 °K ).


Article
Synthesis and Characterization of 1,3,4- oxadiazole Derivatives using an Ultrasonic Technique

Authors: Faiq H. Saaid --- Shatha J. Dawood --- Bushra H. Marbeen
Journal: Al-Mustansiriyah Journal of Science مجلة علوم المستنصرية ISSN: 1814635X Year: 2018 Volume: 29 Issue: 2 Pages: 101-105
Publisher: Al-Mustansyriah University الجامعة المستنصرية

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Abstract

In the present study, a new of 1,3,4-oxadizole derivatives(4a1,4a2,4b1,4b2) were synthesized using an ultrasonic technique.Benzohydrazine and its substituted (2a, 2b) were obtained from the reaction of hydrazin with benzoylchloride and its substituted (1a, 1b). Compounds (2a, 2b) react with chloroacetic acid to form compounds (3a,3b) which react with p-phenylene diamine and hydrazine in presence of DMSO as a solvent to obtain new compounds (4a1,4a2, 4b1,4b2) by ultrasonic technique. The structures of the synthesized compounds were elucidated by spectral data: infrared spectra (FT-IR) and 1HNMR and CHN analysis. The synthesis compounds (4b1, 4b2, 4a1, and 4a2) were evaluated for antibacterial (Staphylococcus1 aureus) by the serial dilution method.

يتضمن البحث تخليق مركبات جديدة من 1,3, 4- اوكسادايازول ومشتقاته (4a1,4a2,4b1,4b2) بتقنية الموجات فوق الصوتية . تم الحصول على مركب بنزوهيدرازين ومشتقه (2a,2b) من تفاعل البنزويل كلورايد ومشتقه(1a,1b) مع الهيدرازين . من تفاعل (2a,2b) مع كلورو استيك اسيد تم الحصول على مركبات (3a,3b) الذي بتفاعلهم مع بارا – فينلين داي امين و مع الهيدرازين بوجود ثنائي مثيل سلفونيل كمذيب بطريقة الموجات فوق الصوتية للحصول على مركبات جديدة (4a1,4a2,4b1,4b2) . تم توضيح هياكل المركبات المحضره بواسطة البيانات الطيفي باستخدام تحليل العناصر وطيف الاشعة تحت الحمراء وتقنية الرنين المغناطيسي. تم فحص المركبات (4b1,4b2,4a1,4a2) للمضاد للبكتيريا ((Staphylococcus aureuss بواسطة طريقة التخفيف المسلسل.


Article
Synthesis & Spectroscopic Study of Some Lanthanide Complexes with the New Antipyrine –Azo Ligands

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Abstract

Azo compounds are among the most profoundly explored classes of organic reagent both from the theoretical and practical view point. The presence of an azo linkage in aromatic compounds makes them highly important in dye- stuff industry, pharmacy and analytical chemistry.

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