X-ışınları tek kristal difraktometresi ile kırınım şiddet verilerinin toplanması ve kristal yapı analizi
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Dosyalar
Tarih
2007
Yazarlar
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Yayıncı
Kırıkkale Üniversitesi
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
Bu tez çalışmasında, X-Işınları ve kristalografik temel bilgiler verilmiş, X-Işınları Tek Kristal Difraktometresi'ni oluşturan kısımlar detaylı olarak açıklanmış ve kırınım şiddeti verilerinin toplanmas? öncesi ve sonras? dahil olmak üzere tüm basamaklar detaylı olarak incelenmiştir. Tek kristal özelliğine sahip bir numune kristal sentezlenmiş ve tek kristal difraktometresinden sağlanan x-ışınları k?r?n?m şiddet verileri yardımı ile incelenmiştir. Bu şiddet verilerinin toplanmas? işlemleri detaylı olarak açıklanmıştır. Sentezlenmiş olan tek kristalin yapısı doğrudan yöntemleri içeren SHELXS-97 ve SHELXL-97 bilgisayar programlar? kullan?larak çözümlenmiştir. Bu yap?lara ait atomsal ve ?s?sal parametreler en küçük kareler yöntemi kullanılarak arıtılmıştır. ii Numune kristal için ; bağ uzunlukları, bağ açıları ve ısısal titreşim parametreleri hesaplanmış ve uluslararas literatürde bulunan benze? r yapılardaki değerlerle karşılaştırılmış ve elde edilen sonuçlar?n uyum içerisinde olduğu gözlemlenmiştir. Anahtar Kelimeler : Tek Kristal Yap? Analizi, X-Işınları Veri Toplama , SHELXS-97, SHELXL 97
In this thesis, detailed information about X-ray and crystallographic basis have been represented. The parts which constitute Single Crystal X-ray Diffractometer have been explained and all the steps in data collection including not only before measurement but also after measurement have been investigated in detailed. A single crystal has been synthesized and examined by using the X-ray diffraction intensities obtained from single x-ray diffractometer. The processes in collection of diffraction intensities have been explained in detailed. The structure of synthesized single crystal has been solved by using computer programs SHELXS-97 and SHELXL-97 including direct methods. Atomic and thermal parameters of these structures have been refined by using Least-Square method. iv For the sample crystal structure, calculated and obtained values of bond lengths, bond angles and dihedral angles have been compared to the values of the similar structures in the literature and it has been confirmed that these values are compatible and in a good agreement with the literature. Key Words: Single Crystal Structure Analysis, X-Ray Data Collection, SHELXS-97 and SHELXL-97
In this thesis, detailed information about X-ray and crystallographic basis have been represented. The parts which constitute Single Crystal X-ray Diffractometer have been explained and all the steps in data collection including not only before measurement but also after measurement have been investigated in detailed. A single crystal has been synthesized and examined by using the X-ray diffraction intensities obtained from single x-ray diffractometer. The processes in collection of diffraction intensities have been explained in detailed. The structure of synthesized single crystal has been solved by using computer programs SHELXS-97 and SHELXL-97 including direct methods. Atomic and thermal parameters of these structures have been refined by using Least-Square method. iv For the sample crystal structure, calculated and obtained values of bond lengths, bond angles and dihedral angles have been compared to the values of the similar structures in the literature and it has been confirmed that these values are compatible and in a good agreement with the literature. Key Words: Single Crystal Structure Analysis, X-Ray Data Collection, SHELXS-97 and SHELXL-97
Açıklama
Anahtar Kelimeler
Fizik ve Fizik Mühendisliği, Physics and Physics Engineering
