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- W2002160856 abstract "Samples of CH3CH2D, CH3CHD2, CD3CH2D, and CD3CHD2 have been prepared, and their infrared spectra recorded. Analysis of type B or type C “perpendicular” bands has enabled the rotational parameter (A0 - B0) to be determined for all four species. These have been combined with existing infrared, Raman, and microwave data for CH3CH3, CD3CD3, and CH3CD3 species, to determine the ground state (r0) and ground state average (rz) 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 rz(CC) bond length is determined to be 1.5351(2) Å, which is significantly longer than previous estimates involving electron diffraction data." @default.
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- W2002160856 date "1979-03-01" @default.
- W2002160856 modified "2023-10-14" @default.
- W2002160856 title "Infrared spectroscopic studies of partially deuterated ethanes and the r0, rz, and re structures" @default.
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- W2002160856 doi "https://doi.org/10.1016/0022-2852(79)90160-7" @default.
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