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A Theoretical Study of 1H NMR Parameters in the Real Crystalline Structure of Iminopyridine Complexes
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نویسنده
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Nasiri H. ,Behzadi H. ,Talei Bavil Olyai M. R. ,Rezaeian R.
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منبع
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journal of applied chemical research - 2011 - دوره : 19 - شماره : 4 - صفحه:7 -12
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چکیده
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A computational study was carried out procedure was used to investigate the relationship between the 1h shielding tensors of iminopyridine ligand and its related complexes. the calculations were performed appliying the b3lyp method and 3-21g* standard basic set using the gaussian 98 series of programs. the results showed that σ33 is the most affected due to the bonding of ligand and complexes and may be used as a probe to explain the bonding effect of different ions at iminopyridine complex.
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کلیدواژه
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Iminopyridine ,Schiff base ,GIAO ,NMR ,DFT calculations.
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آدرس
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islamic azad university, Faculty of Science, Department of Chemistry, ایران, islamic azad university, Faculty of Technical and Engineering, Department of Chemistry, ایران, islamic azad university, Faculty of Technical and Engineering, Department of Chemistry, ایران, islamic azad university, Faculty of Science, Department of Chemistry, ایران
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پست الکترونیکی
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talei3@gmail.com
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Authors
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