Biyolojik aktiviteye sahip bazı n-substitue tiyosemikarbazon türevlerinin ve metal komplekslerinin sentezleri,yapılarının aydınlatılması ve teorik çalışma
Yükleniyor...
Tarih
2014
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Niğde Üniversitesi / Fen Bilimleri Enstitüsü
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
Tiyosemikarbazon türevleri kimyasal özelliğinden dolayı antitümör, antibkteriyel, ve antiviral gibi biyolojik aktviteye sahip olduğu için ilgi çekicidir. İsatin türevleriyle geçiş metallerinin birçok koordinasyon bileşiği, liganttan daha fazla biyolojik aktivite özelliğine sahiptir. Bu calışmada; 1-(isatin)-4-(3'-metoksifenil)-3-tiyosemikarbazon, 1-(5'-floroisatin)-4-(3'-metoksifenil)-3-tiyosemikarbazon, 1-(5'-metoksiisatin)-4-(3'-metoksifenil)-3-tiyosemikarbazon ligandları ve bunların Zn(II) kompleksleride sentezlenerek yapıları FT-IR, UV-Visible, elementel analiz (CHNS), 1H-NMR, 13C-NMR yöntemleriyle aydınlatıldı Ligandların reaksiyon mekanizması, yarı deneysel metot AM1 ile çalışıldı. Ligandlar ile elde edilen Zn(II) komplekslerinin elektronik ve geometrik parametreleri teorik olarak B3LYP metodu 6-311G(d,p), 6-311G(2d,2p) ve 6-31G(2d,2p) temel setleri kullanılarak hesaplandı. Ligandların ve Zn(II) komplekslerinin NBO (doğal bağ orbitali) analiz calışması yapıldı.
Thiosemicarbazone derivatives are of considerable interest because of their chemistry and potentially beneficial biological activities, such as antitumor, antibacterial, antiviral and antimalarial activities. Many coordination compounds of transition metals with isatin derivatives show greater activity than the ligands alone. In this study, being synthesized 1-(isatin)-4-(3'-methoxyphenyl)-3-thiosemicarbazone, 1-(5'-floroisatin)-4-(3'- methoxyphenyl)-3-thiosemicarbazon, 1-(5'-methoxyisatin)-4-(3'-methoxyphenyl)-3- thiosemicarbazone and their Zn(II) complexes were synthesized and their structure were characterized by elemental analysis, infrared, ultraviolet, 1H-NMR and 13C-NMR. Reaction mechanism of ligands were studied by semi-empirical method-AM1. The electronic and geometric parameters of ligands and their metal complexes were calculated at the level of the B3LYP method by using 6-311G(d,p), 6-311G(2d,2p) ve 6-31G(2d,2p) basis sets. NBO analysis of ligands were studied and theoretical and experimental FT-IR, UV and NMR studies for ligands and their Zn(II) were carried on.
Thiosemicarbazone derivatives are of considerable interest because of their chemistry and potentially beneficial biological activities, such as antitumor, antibacterial, antiviral and antimalarial activities. Many coordination compounds of transition metals with isatin derivatives show greater activity than the ligands alone. In this study, being synthesized 1-(isatin)-4-(3'-methoxyphenyl)-3-thiosemicarbazone, 1-(5'-floroisatin)-4-(3'- methoxyphenyl)-3-thiosemicarbazon, 1-(5'-methoxyisatin)-4-(3'-methoxyphenyl)-3- thiosemicarbazone and their Zn(II) complexes were synthesized and their structure were characterized by elemental analysis, infrared, ultraviolet, 1H-NMR and 13C-NMR. Reaction mechanism of ligands were studied by semi-empirical method-AM1. The electronic and geometric parameters of ligands and their metal complexes were calculated at the level of the B3LYP method by using 6-311G(d,p), 6-311G(2d,2p) ve 6-31G(2d,2p) basis sets. NBO analysis of ligands were studied and theoretical and experimental FT-IR, UV and NMR studies for ligands and their Zn(II) were carried on.
Açıklama
Anahtar Kelimeler
Antiviral, İsatin tiyosemikarbazon, Zn(II) kompleksi, Biyolojik aktivite, B3LYP, Antiviral, Isatin thiosemicarbazone, Zn(II) complex, Biological activity, B3LYP
Kaynak
WoS Q Değeri
Scopus Q Değeri
Cilt
Sayı
Künye
Uludağ, L. (2014). Biyolojik aktiviteye sahip bazı n-substitue tiyosemikarbazon türevlerinin ve metal komplekslerinin sentezleri,yapılarının aydınlatılması ve teorik çalışma. (Yüksek Lisans Tezi) Niğde Üniversitesi, Fen Bilimleri Enstitüsü, Niğde
