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INTERNATIONAL JOURNAL OF PHARMACEUTICAL RESEARCH

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IJPR included in UGC-Approved List of Journals - Ref. No. is SL. No. 4812 & J. No. 63703

Published by : Advanced Scientific Research
ISSN
0975-2366
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IJPR 9[3] July - September 2017 Special Issue

July - September 9[3] 2017

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Synthesis, Characterization and Theoretical Study of 2??-(?2?-(Thiophen-?2?-?y?l?)?-??1?H?-b?en?zo[?d?] Imidazole-?1?-y?l) Acetohydrazide and its Complexes

Author: HANAA H., FADHELA M. HUSSEIN, ENAS ZUHAIR MOHAMMED
Abstract: Throughout this study the ligand ?2?-(?2?-(thiophen-?2?-y?l) ?-?1?H?-ben?zo[?d?] imidazole-1?-?y?l) acetohydrazide and its complexes using salts of [Co(II),Ni(II), Cu(II), Mn(II) and Hg(II) ]were prepared and characterized using the spectroscopic measurements (FT-IR,UV-VIS, 1HNMR and mass spectra) in addition to thin layer chromatography(TLC), the measurement of conductivity and magnetic sensitivity. The study of the nature of the complexes created in ethanol following the technique of molar ratio saves findings that have been effectively compared with those acquired from studies of solid state. Th?e theoretical study of th?e lig?and c?omplex?es using of Quantum Mechanics calculation PM3 Method by using the program Hyper chem 8.o8 to calculate the equilibrium geometrical structure of complexes; the physical properties of ligand complexes were calculate at their equilibrium geometrical structure as bond length, enthalpy, heat capacity , dipole moment, total energy ,EHOMO,ELUMO that allows us to confirm the experimental results.
Keyword: Benz imidazole, Carbohydrazide, PM3 Geometry optimization.
DOI: https://doi.org/10.31838/ijpr/2020.12.02.0185
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0.12
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