Abstract
Abstract The effect of vacant dπ 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 dπ 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 dπ orbitals of sulfur atom should be taken into account.
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