(C2OH14N2O2Br2) Bis-N,N-p-bromo-salisilideneamin-1,2-diaminobenzen schiff bazının moleküler şekillenim özelliklerinin incelenmesi
The Investigation of the molecular conformational properties of schiff base Bis-N,N-p-bromo-salicylideneamine-1,2-diaminobenzene, (C2OH14N2O2Br2)
- Tez No: 95771
- Danışmanlar: YRD. DOÇ. DR. MEHMET KABAK
- Tez Türü: Yüksek Lisans
- Konular: Fizik ve Fizik Mühendisliği, Physics and Physics Engineering
- Anahtar Kelimeler: Belirtilmemiş.
- Yıl: 2000
- Dil: Türkçe
- Üniversite: Ankara Üniversitesi
- Enstitü: Fen Bilimleri Enstitüsü
- Ana Bilim Dalı: Fizik Mühendisliği Ana Bilim Dalı
- Bilim Dalı: Belirtilmemiş.
- Sayfa Sayısı: 58
Özet
ÖZET Yüksek Lisans Tezi {CîoHijNıOîBrîlBİs-N.N'-p-broıno-saÜsilideneaııün-l^^iaminobenzeıı SCHIFF BAZININ MOLEKÜLER ŞEKtLLENİM ÖZELLİKLERİN İNCELENMESİ özen ÖZGEN Ankara Üniversitesi Fen Bilimleri Enstitüsü Fizik Mühendisliği Anabilİm Dalı Danışman: YnL Doç. Dr. Mehmet KABAK Bu çalışmada, Bis-NJ
Özet (Çeviri)
ABSTRACT Master's Thesis THE INVESTIGATION OF THE MOLECULAR CONFORMATIONAL PROPERTIES OF SCHIFFBASE Bis-N^-p-hromo-salicylideneamme-l^- diaminobeozene,(CajHuN202Br2) özen ÖZGEN Ankara University Graduate School of Natural and Applied Sciences Department of Physics Engineering SupeTvisorAssist.ProCDr. Mehmet KABAK In this work, molecular conformational properties of Bis-N.N'-p-hromo- saUcylideoeariiitte-l^iantmobeitzene were determined. The crystal structure of Bis- NK-p-bronro-saHcylİderıeamks-l^-tJiarmnobenzeııe was detenrrined by the single crystal x-ray diffraction techniques. The most stable conformation was of the molecule is non-planar conformation which was examined changing the 6i(C8-Nl-C7-C6) and 02(C13-N2-C14-C15) torsion angles, which were important at the planarity of the molecular during the geometry optimization of the molecule (8|=179.S\ 6z=l79.8*). Part of the molecule was planarity for values of 6] and 62 angles. In the state, take from heat energy of the molecule was calculated values 57.965 kcal/moUn this study, the conformational analysis of Bls-N,N,-r>brorito-saUcylMeneamine -1^-diaminobenzene was made by using the Austin Model 1 (AMI) semi-empirical molecular orbital methods, which was implemented HyperChem and MOPAC program package. In the molecule,tbe atomic interactions which are important at the planarity of the molecule were investigated and the most stable conformation of the molecule was investigated by conformational analysis. 2000, 58 pages Key Words : Schiff base, MNDO, AMI, molecular orbital methods