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Some Molecular Properties and Reaction Mechanism of Synthesized Isatin Thiosemicarbazone and Its Zinc II and Nickel II Complexes   
Yazarlar (5)
Prof. Dr. Fatma KANDEMİRLİ Prof. Dr. Fatma KANDEMİRLİ
Kastamonu Üniversitesi, Türkiye
Doç. Dr. Can Doğan VURDU Doç. Dr. Can Doğan VURDU
Kastamonu Üniversitesi, Türkiye
Saracoglu Murat
Akkaya Yusuf
Cavus Serdar
Devamını Göster
Özet
The aim of this study is to 1H-Indole-2,3-dione 3-[N-(4-fluorophenyl)-thiosemicarbazone and its zinc(II) and nickel(II) complexes. The structures of the synthesized compounds were confirmed by spectral data and elemental analysis. They were optimized by B3LYP theory with different basis sets. The optimized structures were compared with the experimental values. TD-DFT calculations on electronic absorption spectra in gas phase and DMSO were performed to determine the electronic transitions of the compounds. The Frontier Molecular Orbital analysis were also done in order to identify the charge transfer interaction that takes place between the molecular orbitals. Reaction mechanism of 1H-indole-2,3-dione-3-(N-4-fluorophenyl thiosemicarbazone) molecules were also studied.
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale
Dergi Adı International Research Journal of Pure and Applied Chemistry
Dergi ISSN 2231-3443
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 01-2015
Cilt No 9
Sayı 1
Sayfalar 1 / 16
Doi Numarası 10.9734/IRJPAC/2015/17626
Makale Linki http://sciencedomain.org/abstract/9763