C-13 NMR chemical shifts and charge densities of substituted thiophenes - The effect of vacant d.PI. orbitals.

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概要

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• The effect of vacant d<SUP>π</SUP> orbitals on the charge distributions of heteroatomic systems containing sulfur and halogens is discussed. From an appropriate estimation of the Coulomb and resonance integrals associated with the vacant d<SUP>π</SUP> orbitals, a linear relationship is obtained between charge density and C-13 chemical shift. For a discussion of the reactivity for electrophilic substitution of thiophene, the contribution of d<SUP>π</SUP> orbitals of sulfur atom should be taken into account.

• 公益社団法人 日本化学会の論文

著者

• Nishimoto Kichisuke

  Department of Chemistry, Osaka City University

関連論文

• C-13 NMR chemical shifts and charge densities of substituted thiophenes - The effect of vacant d.PI. orbitals.

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