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标题:Theoretical and experimental NMR data of 3,5-dinitro-2-(2-phenylhydrazinyl)pyridine and of its 4- and 6-methyl derivatives
时间:2019-09-11 17:10:29
DOI:10.1016/j.molstruc.2013.03.052
作者:M. Wandas;Z. Talik
出版源: 《Journal of Molecular Structure》 ,2013 ,1043 (25) :15-27
摘要:Theoretical and experimental NMR data of 3,5-dinitro-2-(2-phenylhydrazinyl)pyridine and of its 4- and 6-methyl derivatives...
大小:2448 kb
页数:14 PAGES
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目录:
  • Theoretical and experimental NMR data of 3,5-dinitro-2-(2-phenylhydrazinyl) pyridine and of its 4- and 6-methyl derivatives
    • 1 Introduction
    • 2 Experimental
      • 2.1 Synthesis
      • 2.2 NMR spectra
      • 2.3 Computational method
    • 3 Results and discussion
      • 3.1 Structure
      • 3.2 13C NMR
      • 3.3 1H NMR
      • 3.4 Correlation between experimental 1H and 13C chemical shifts
      • 3.5 Results of theoretical calculations
        • 3.5.1 Shielding constants
        • 3.5.2 NPA (Natural Populations Analysis) and Mulliken charges
    • 4 Conclusions
    • References

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