Abstract
Experimental structure determinations for gem-disubstituted difluorides and dichlorides, both acyclic and alicyclic, show that the non-bonded distances d(Y ⋯ Y) (Y = F, Cl) are essentially constant. It is proposed that d(Y ⋯ Y) represents the limiting non-bonded contact distance and determines the bonded C-Y distance, for a given angle ∠YCY: as the skeletal angle ∠CCC increases, the angle ∠YCY decreases, and the constant Y⋯Y distance causes d(CY) to increase; and conversely. This hypothesis is supported by both MINDO/3 and Molecular Mechanics calculations.
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