[Zn(TPTZ) - C18H12N6Cl2Zn] tek kristalinin sentezi, kristal yapı analizi ve spektroskopik incelenmesi
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Tarih
2020
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Kırıkkale Üniversitesi
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
Bu tez çalışmasında, [Zn(TPTZ) - C18H12N6Cl2Zn] Tek Kristali sentezlenmiş, kristal kırınım şiddet verileri X-Işınları Tek Kristal difraktometresi ile toplanmıştır. Toplanan kırınım şiddet verileri kullanılarak, kristal yapı SHELXS 2014/5 ile çözülmüş ve SHELXL2015/6 ile aydınlatılmıştır. Tez konusu [C18H12N6Cl2Zn] molekülünün IR ve UV-Vis soğurma deneyleri gerçekleştirilmiş ve teorik hesaplamaları ile karşılaştırılmıştır. Bu tez çalışmasında üretilen [C18H12N6Cl2Zn] molekülünün Potansiyel Enerji Yüzeyi, Frontier Moleküler Orbital analizi hesaplamaları gerçekleştirilmiştir
In this thesis; [Zn(TPTZ) - C18H12N6Cl2Zn] single crystal was synthesized and diffraction intensities data were collected by Single X-Ray Diffractometer. Its crystal structure was solved by SHELXS 2014/5 and refined by SHELXL2015/6 using these intensity data. The IR and UV-Vis absorption properties of [C18H12N6Cl2Zn] molecule were studied experimentally and theoretically. Potential Energy Surface and Frontier Molecular Orbital Analysis of [C18H12N6Cl2Zn] molecule, synthesized in this thesis, were studied.
In this thesis; [Zn(TPTZ) - C18H12N6Cl2Zn] single crystal was synthesized and diffraction intensities data were collected by Single X-Ray Diffractometer. Its crystal structure was solved by SHELXS 2014/5 and refined by SHELXL2015/6 using these intensity data. The IR and UV-Vis absorption properties of [C18H12N6Cl2Zn] molecule were studied experimentally and theoretically. Potential Energy Surface and Frontier Molecular Orbital Analysis of [C18H12N6Cl2Zn] molecule, synthesized in this thesis, were studied.
Açıklama
Fen Bilimleri Enstitüsü, Fizik Ana Bilim Dalı
Anahtar Kelimeler
Fizik ve Fizik Mühendisliği, Physics and Physics Engineering
