X-ışınları kırınımı ile C15H12OBr2'nin kristal yapısının araştırılması ve safra taşlarının nitel analizi
Investigation of the crystal structure of C15H12OBr2 and qualitative analysis of gallstones
Yazar: KAZIM KEŞLİOĞLU
Danışman: DOÇ.DR. MEHMET AKKURT
Erciyes Üniversitesi / Fen Bilimleri Enstitüsü / Fizik Ana Bilim Dalı
Derece: Yüksek Lisans, 1996
Konu: Fizik ve Fizik Mühendisliği = Physics and Physics Engineering
Dizin: Kimyasal bileşim = Chemical composition ; Kolelityaz = Cholelithiasis ; Kristal yapı = Crystal structure ; X ışını kırınımı yöntemi = X ray diffraction method

Özet:
ÖZET X-ISINLARI KIRINIMI İLE C15HuOBr2 'NİN KRİSTAL YAPISININ ARAŞTIRILMASI VE SAFRA TAŞLARININ NİTEL ANALİZİ Sarımtırak renkli, prizmatik şekle sahip "Benzalasetofenon dibromür'" tek. kristalleri büyütülüp seçilerek X-ışınlar tekniği ile incelendi. Uygun büyüklükte, düzgün yüzlere sahip kristallerin tek kristal olup olmadığı polarizasyon mikroskobu ile belirlendi. Bir tek kristal fiber ucunda gonyometre başlığına monte edildi. Buerger ve Weissenberg kameralarında sıfırıncı ve üst tabaka diyagramları elde edildi. Kristal sisteminin monoklinik olduğu saptandı. Tabaka filmlerinin dikkatle taranması sonucunda yansıma şartlarının; (hk£): h+k+i = 2n, (hOİ): h, i = 2n, {(M): k+£= 2n, (hkO): h+k = 2n, (hOO): h = 2n, (OkO): k = 2a, (001): t= 2n şeklinde olduğu tespit edildi. Kristal verileri: dsBbOBrz, Mr= 368.093 akb, monoklinik, a = 18.69 (3) A, b = 14,65(1) A, c = 10.47(1) Â, p = 93.55(3)°, V = 2861.27 Â3, Z = 8, dx = 1.71 gr/cm3, X (CuKa) = 1.54182 Â, I 1 2/a 1 (No = 15), u

Abstract:
VI ABSTRACT INVESTIGATION OF THE CRYSTAL STRUCTURE OF C15H12OBr2 AND QUALITATIVE ANALYSIS OF GALLSTONES "Benzalasetophenon dibromüre" single crystals which have yellow color and prism shape have been examined by X-ray diffraction method. A crystal of suitable size which had smooth surfaces was examined with a polarization optical microscope to confirm whether it is single crystal or not. The single crystal was attached to the goniometer head with a fibre. The zeroth and upper layer diyagrams were obtained by Buerger and Weissenberg cameras. The crystal system was determined to be monoclinic. The constructive reflections were obtained for layer films as (hki): h+kH = 2n, (h(W): h, i = 2n, (OW): k+£= 2n, (hkO): h+k = 2n, (hOO): h = 2n, (OkO): k = 2n, (00/): 1= 2n. Crystal structure : Ci5Hi2OBr2j Mr= 368.093 akb, monoclinic, a = 18.69 (3) Â, b = 14,65(1) A, c = 10.47(1) A, p = 93.55(3)°, V = 2861.27 A3, Z = 8, dx = 1.71 gr/cm3, X (CuKa) = 1.54182 A, I 1 2/a 1 (No = 15), u(Cu) = 78.6 cm"1, t = 0.26 mm, F(000) = 1440, T = 293 °K, The Laue group is 2/m, the special Laue symmetries are 2mm for [100] and [001] orientations and 2 for [010] orientation. The conformation analysis of the molecule was made by the MM2P method. The chemical quantum calculations of the compound were carried out by the SCF MO LCAO method using the data from MM2P method and CNDO/2 approach. The dipole moment of the molecule is 6.645 Debyes, HOMO and LUMO energies are -11.2065 eV and 2.9299 eV respectively.. At the second part of the thesis, a qualitative analysis of the gallstones were carried out by the powder diffraction method. The gallstones with different colors, magnitutes and types were obtained from ten patients who were being treated in Medical Faculty Hospital of Erciyes University. These stones were ground with a mortar and pestle into powder and powder XRD pictures were taken. The components of these stones such as Cholesterol, Cholesterol Acetate I, Cholesterol Acetate n, Calcium Carbonate, Calcium Phosphate, Calcium Palmitate, Calcium Magnesium Phosphate were determined by using Hanawalt method. The results are in agreement with the known standards. They are also useful for post-operative treatment of patients.