Abstract

Rules for subsLiLuent effects on MO coefficients are developed by perturbational freeelectron theory. Theπ-MOs of substituted polyenes are regarded as waves shifted toward an electronegative atom in the conjugated system or shifted away from an electron-donating group. The concepts are extended to substituted ben7enes to show the relative magnitudes of the HOMO coefficients at ortho/para and meta carbons.

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