N,N'-bis-disalisinden 1,2 diaminobenzen (C2H16N2O2)'nin kristal ve moleküler yapısı
Crystal and molecular structure of N,N'-bis-disalyciliden-1,2 diaminobenzene
- Tez No: 28631
- Danışmanlar: DOÇ. DR. ÇELİK TARIMCI
- Tez Türü: Yüksek Lisans
- Konular: Fizik ve Fizik Mühendisliği, Physics and Physics Engineering
- Anahtar Kelimeler: Belirtilmemiş.
- Yıl: 1993
- Dil: Türkçe
- Üniversite: Ankara Üniversitesi
- Enstitü: Fen Bilimleri Enstitüsü
- Ana Bilim Dalı: Fizik Mühendisliği Ana Bilim Dalı
- Bilim Dalı: Belirtilmemiş.
- Sayfa Sayısı: 114
Özet
III ABSTRACT Masters Thesis Crystal and Moleculer Structure of N,N' -bis-disalyciliden-1,2 diaminobenzene Metin AYDIN Ankara University Graduate School of Natural and Applied Sciences Supervisor:Assoc.Prof.Dr. Çelik Tarımcı 1993, Page:107 Jury : Prof. Dr. Hüseyin SOYLU Prof. Dr. Yalçın ELERMAN Assoc.Prof.Dr. Çelik TARIMCI In the present study the crystal structure of N,N'-Bis-disalyclydene-l,2 diaminobenzene, C20H1QN2O2, has been investigated. The crystal is in the mon- oclinic system with a = 5.976, b = 16.588, c = 16.359,/? = 91.43°, space group F2i/c, \{M0Ka) = 0.7107Â, R = 0.0846, wR = 0.0349 for 1016 unique reflec tion Coordinates of the crystal atoms were found by using direct method. Ob tained atomic coordinates and thermal vibration tensors were refined by means of least-squares technique. The atomic coordinates, bond distances, bond angles and atomic planes which are formed by these atoms were also compared with other related works. Moleculer orbital calculation of the compouned has done by means of using Extended Hückel Theory. In this investigation, we have examined elec tronic populations among atoms which are bonded each other and net electron density on each atom. KEYWORDS :Salyciliden, diaminobenzen, Extended Hückel Calcu lationII ANAHTAR KELİMELER : Salyciliden, diaminobenzen, Genişletilmiş Hückel Hesaplaması
Özet (Çeviri)
III ABSTRACT Masters Thesis Crystal and Moleculer Structure of N,N' -bis-disalyciliden-1,2 diaminobenzene Metin AYDIN Ankara University Graduate School of Natural and Applied Sciences Supervisor:Assoc.Prof.Dr. Çelik Tarımcı 1993, Page:107 Jury : Prof. Dr. Hüseyin SOYLU Prof. Dr. Yalçın ELERMAN Assoc.Prof.Dr. Çelik TARIMCI In the present study the crystal structure of N,N'-Bis-disalyclydene-l,2 diaminobenzene, C20H1QN2O2, has been investigated. The crystal is in the mon- oclinic system with a = 5.976, b = 16.588, c = 16.359,/? = 91.43°, space group F2i/c, \{M0Ka) = 0.7107Â, R = 0.0846, wR = 0.0349 for 1016 unique reflec tion Coordinates of the crystal atoms were found by using direct method. Ob tained atomic coordinates and thermal vibration tensors were refined by means of least-squares technique. The atomic coordinates, bond distances, bond angles and atomic planes which are formed by these atoms were also compared with other related works. Moleculer orbital calculation of the compouned has done by means of using Extended Hückel Theory. In this investigation, we have examined elec tronic populations among atoms which are bonded each other and net electron density on each atom. KEYWORDS :Salyciliden, diaminobenzen, Extended Hückel Calcu lation
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