On the relationship between C-13 nuclear magnetic resonance chemical shift and stability of molecule in methyl-substituted N,N-dimethylpiperidinium salts.

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Abstract

Among positional and conformational isomers of mono-and di-methyl derivatives of N, N-dimethylpiperidinium ions, a linear relationship was found between the sum of C-13 nuclear magnetic resonance chemical shifts of all the constituent carbons of molecule and the total energy of molecule calculated by MINDO/2 method.

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