The parallel band of ethane at 2753 cm—1 and the parallel band of ethane-d6 at 2816 cm—1 have been observed and analyzed. The resultant values of B for C2H6 and C2D6 are 0.6637 cm—1 and 0.4598 cm—1, respectively. From these B values the C–C distance is found to be 1.534 A and the quantity (rCC/2+rCHcosθ)2+rCH/22sin2θ=1.866 A where θ=180−∠HCC.If the rCH value of methane (1.093 A) is assumed, the ∠HCC is 109° 45′.
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Allen et al. (1959) studied this question.
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