Abstract
Samples of CH 3CH 2D, CH 3CHD 2, CD 3CH 2D, and CD 3CHD 2 have been prepared, and their infrared spectra recorded. Analysis of type B or type C “perpendicular” bands has enabled the rotational parameter ( A 0 - B 0 ) to be determined for all four species. These have been combined with existing infrared, Raman, and microwave data for CH 3CH 3, CD 3CD 3, and CH 3CD 3 species, to determine the ground state ( r 0) and ground state average ( r z ) structures within narrow limits. Zero point energy effects on the average structure are determined to be a CH bond shortening of 0.0015(3) Å and an HCC angle opening of 0.010(5)° on deuteration. These effects enable the equilibrium structure of ethane to be estimated. The r z (CC) bond length is determined to be 1.5351(2) Å, which is significantly longer than previous estimates involving electron diffraction data.
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