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Synthesis and theoretical study of Zinc(II) and nickel(II)- complexes of 5-methoxyisatin 3-[N-(4- chlorophenyl)thiosemicarbazone]
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نویسنده
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kandemirli f. ,saracoǧlu m. ,bulut g. ,ebenso e. ,arslan t. ,kayan a.
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منبع
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journal of mathematical and fundamental sciences - 2012 - دوره : 44 A - شماره : 1 - صفحه:35 -50
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چکیده
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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.
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کلیدواژه
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DFT; Isatin thiosemicarbazones; Zn (II) and Ni (II)-complexes
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آدرس
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department of chemistry,niǧde university,51240, Turkey, faculty of education,erciyes university,38039, Turkey, department of chemistry,kocaeli university,41380, Turkey, department of chemistry,north west university,mafikeng campus private bag x2046, South Africa, department of chemistry,osmangazi university,26480, Turkey, department of chemistry,kocaeli university,41380, Turkey
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Authors
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