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Synthesis and Theoretical Study of Zinc II and Nickel II Complexes of 5 Methoxyisatin 3 N 4 chlorophenyl thiosemicarbazone   
Yazarlar
Kandemirli Fatma
Saracoğlu Murat
Bulut Gamze
Ebenso Eno
Arslan Taner
Kayan Asgar
Özet
Zinc(II) and nickel(II)-complexes of 5-methoxyisatin 3-[N-(4- chlorophenyl) thiosemicarbazone] (H 2MICP) were synthesized and characterized by infrared, ultraviolet and 1H-NMR spectroscopies as well as elemental analysis. Model of H 2MICP and its zinc(II) and nickel(II)-complexes were optimized with B3LYP method using 6-31G(d,p), 6-311G(d,p), 6-311++G(d,p), 6-311++G(2d,2p) basis sets. The calculated 1H-NMR, UV and IR spectra data were compared with experimental results. In addition to the Natural Bond Orbital (NBO) analysis of H 2MICP and its Zinc(II) and Nickel(II) complexes, Fukui functions of H 2MICP were also reported. © 2012 Published by LPPM ITB.
Anahtar Kelimeler
DFT | Isatin thiosemicarbazones | Zn (II) and Ni (II)-complexes
Makale Türü Özgün Makale
Makale Alt Türü Uluslararası alan indekslerindeki dergilerde yayımlanan tam makale
Dergi Adı ITB Journal of Sciences
Dergi ISSN 1978-3043
Dergi Tarandığı Indeksler Chemical Abstract
Makale Dili İngilizce
Basım Tarihi 01-2012
Cilt No 44
Sayı 1
Sayfalar 35 / 50
Doi Numarası 10.5614/itbj.sci.2012.44.1.4
Makale Linki http://journal.itb.ac.id/index.php?li=article_detail&id=707