Microwave spectra of deuterated ethanes: Internal rotation potential function and rz structure
作者： Eizi Hirota , Yasuki Endo , Shuji Saito , J.L. Duncan
DOI: 10.1016/0022-2852(81)90024-2
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摘要: Abstract The microwave spectra of CH3CHD2 in the first excited torsional state and CH3CH2D CD3CH2D ground states have been observed by a source-modulation spectrometer analyzed to determine two potential constants, V3 V6, simultaneously also assess isotopic effects on function. results obtained for C2H6 are = 2.882 ± 0.010 V6 0.020 kcal/mole. staggered conformation ethane was established observing gauche CH2DCH2D. rz structure recalculated adding precise rotational constants this work previous infrared data.
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Eizi Hirota, Tomohiko Hirooka, Yonezo Morino, Microwave spectrum of propylene Journal of Molecular Spectroscopy. ,vol. 26, pp. 351- 367 ,(1968) , 10.1016/0022-2852(68)90070-2
Eizi Hirota, Internal rotation of the asymmetric top: Theory and its application to the deuterated propylene CH2DCHCH2 Journal of Molecular Spectroscopy. ,vol. 34, pp. 516- 527 ,(1970) , 10.1016/0022-2852(70)90031-7
Eizi Hirota, Shuji Saito, Yasuki Endo, Barrier to internal rotation in ethane from the microwave spectrum of CH3CHD2 Journal of Chemical Physics. ,vol. 71, pp. 1183- 1187 ,(1979) , 10.1063/1.438464
J.L. Duncan, D.C. McKean, A.J. Bruce, Infrared spectroscopic studies of partially deuterated ethanes and the r0, rz, and re structures Journal of Molecular Spectroscopy. ,vol. 74, pp. 361- 374 ,(1979) , 10.1016/0022-2852(79)90160-7
Arieh Rosenberg, Joel Susskind, Theory of pure rotational transitions in doubly degenerate torsional states of ethane Physical Review Letters. ,vol. 42, pp. 1613- 1616 ,(1979) , 10.1103/PHYSREVLETT.42.1613
R.M. Lees, Linear dependence in least squares analysis, with an application to internal rotation Journal of Molecular Spectroscopy. ,vol. 33, pp. 124- 136 ,(1970) , 10.1016/0022-2852(70)90058-5
R. M. Lees, J. G. Baker, Torsion–Vibration–Rotation Interactions in Methanol. I. Millimeter Wave Spectrum Journal of Chemical Physics. ,vol. 48, pp. 5299- 5318 ,(1968) , 10.1063/1.1668221
Lincoln G. Smith, The Infra‐Red Spectrum of C2H6 The Journal of Chemical Physics. ,vol. 17, pp. 139- 167 ,(1949) , 10.1063/1.1747206
Bernard Kirtman, William E. Palke, Carl S. Ewig, Effect of vibrations on the internal rotation barrier in ethane Journal of Chemical Physics. ,vol. 64, pp. 1883- 1890 ,(1976) , 10.1063/1.432472
D. W. Lepard, D. M. C. Sweeney, H. L. Welsh, THE RAMAN SPECTRUM OF ETHANE-d$sub 6$ Canadian Journal of Physics (Canada). ,(1962) , 10.1139/P62-163