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Synthesis,physicochemical,conformation and quantum calculation of novel N-(1-(4-bromothiophen-2-yl)ethylidene)-2-(piperazin-1-yl)ethanamine Schiff base
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نویسنده
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warad i. ,ali o. ,ahed r. ,odeh a.b. ,barghouthi s.a. ,naveen s. ,elmsellem h. ,daraghmeh i. ,lokanath n.k. ,allali m.
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منبع
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journal of materials and environmental science - 2017 - دوره : 8 - شماره : 11 - صفحه:2028 -2508
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چکیده
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N-(1-(4-bromothiophen-2-yl)ethylidene)-2-(piperazin-1-yl)ethanamine schiff base ligand was prepared in very good yield by condensation of equimolar amounts of 1-(4-bromothiophen-2-yl)ethanone with 2-(piperazin-1-yl)ethanamine under reflux condition using alcohol media. the desired schiff base was analyzed on the basis of its ms,elemental analysis,uv-visible,ft-ir and nmr analysis. the e and z optimization was performed to figure out the most stable isomer. several dft quantum calculation like: td-scf,mpe,ir-vibration,nmr,mulliken population were carried out by b3lyp level of theory. the experimental analyses of the compound were compared to their theoretical coordinates. © 2017,university of mohammed premier oujda morocco.
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کلیدواژه
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Conformational; DFT; NMR; Schiff base; Spectral
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آدرس
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department of chemistry,an-najah national university,p.o. box 7,nablus, Palestine, department of chemistry,an-najah national university,p.o. box 7,nablus, Palestine, department of chemistry,an-najah national university,p.o. box 7,nablus, Palestine, departement of medical laboratory sciences,al quds university,jerusalem, Palestine, departement of medical laboratory sciences,al quds university,jerusalem, Palestine, institution of excellence,vijnana bhavana,university of mysore,manasagangotri,mysuru, India, lc2ame,faculty of science,first mohammed university,po box 717,oujda, Morocco, department of chemistry,arab american university-jenin,p.o. box,jenin, Palestine, department of studies in physics,university of mysore,manasagangotri,mysore, India, institut supérieur des professions infirmières et techniques de santé,ispits de fès, Morocco
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Authors
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