Studies on ^<13>C Magnetic Resonance Spectroscopy. XV. Correlation between ^<13>C NMR Chemical Shifts and Charge Densities of Diaza-Benzenes
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概要
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Charge densities of diaza-benzenes-2-substituted pyrazines, 5-substituted pyrimidines and 4-substituted pyridazines-were calculated by the MINDO/2 method. The correlations of the substituent-induced ^<13>C chemical shifts (^<13>C SCS) values of these three diaza-benzenes with total charge densities were determined, and linear relations between the two parameters were found even at the ipso position, whereas the correlations of the ipso SCS with a linear combination of substituent constants were poor.
- 公益社団法人日本薬学会の論文
- 1979-09-25
著者
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小林 千鶴子
Faculty Of Pharmaceutical Sciences Osaka University
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佐々木 喜男
Faculty of Pharmaceutical Sciences, Osaka University
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佐々木 喜男
Faculty Of Pharmaceutical Sciences Osaka University
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辻本 利雄
Faculty of Pharmaceutical Sciences, Osaka University
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野村 利郎
Faculty of Pharmaceutical Sciences, Osaka University
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飯古 真規子
Faculty of Pharmaceutical Sciences, Osaka University
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辻本 利雄
Faculty Of Pharmaceutical Sciences Osaka University
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野村 利郎
Faculty Of Pharmaceutical Sciences Osaka University
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飯古 真規子
Faculty Of Pharmaceutical Sciences Osaka University
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