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您的检索式：作者名="ODABASOGLU Mustafa"
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| 1 | Some polyhydroxy azo-azomethine derivatives of salicylaldehyde : Synthesis, characterization, spectroscopic, molecular structure and antimicrobial activity studies 显示文摘 | Mustafa Odabasoglu Cigdem Albayrak Resit Ozkanca | 2007 | Journal of Molecular Structure2007，840，： | 1 |
| 2 | (E)-1-[4-(2-hydroxy-5-methoxybenzylideneamino)-phenyl]ethanone and (E)-1-[4-(2-hydroxy-4-methoxybenzylideneamino) phenyl]ethanone:X-ray and DFT-calculated structures显示文摘The isomeric structures of(E)-1-[4-(2-hydroxy-5-methoxybenzylideneamino)-phenyl] ethanone(I) and(E)-1-[4-(2-hydroxy-4-methoxybenzylideneamino) phenyl]ethanone(Ⅱ) ,both C16H15NO3,have been determined using X-ray diffraction techniques and characterized by IR,and their molecular structures have also been optimized at the B3LYP/6-31G(d,p) level using density functional theory(DFT) . The energetic behaviors of the title compounds in solvent media have been examined using B3LYP method with the 6-31G(d,p) basis set by applying the polarizable continuum model(PCM) . The total energies of the title compounds decrease with the increasing polarity of the solvent. In addition,DFT calculations of the title compounds' molecular electrostatic potentials(MEP) were performed at the B3LYP/6-31G(d,p) level of theory. X-ray study shows that the title compounds both have strong intramolecular O-H…N hydrogen bonds. The molecules of Ⅰ are linked into a one-dimensional framework structure by C-H…π interactions,while in Ⅱ,intermolecular π···π interactions result in the formation of infinite chains running along the [010]. | SAHN Onur BYKGNGR Orhan ALBAYRAK igdem ODABASOGLU Mustafa | 2011 | Chinese Journal of Structural Chemistry2011，30，1： | 0 |
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