The ground-state average and equilibrium structures of formaldehyde and ethylene
作者： J.L. Duncan
DOI: 10.1080/00268977400102501
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摘要: The use of recently determined highly precise rotational constants for various isotopes formaldehyde and ethylene enables the ground-state average structures to be high accuracy. Harmonic corrections inertial are calculated using general harmonic force fields. In case formaldehyde, data enable changes in all three structural parameters due isotopic mass effects determined. For ethylene, only change CH bond length on deuteration is well characterized, somewhat lower accuracy constants. Using differences transferred from supported by calculations, deutero predicted what considered better than 0·1 per cent reliability. less formaldehyde. This although it appears also that stretc...
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sci-hub.se 参考文章(36)
Kozo Kuchitsu, Takeshi Oka, Yonezo Morino, Calculation of inertia defect: Part IV. Ethylene-type molecules Journal of Molecular Spectroscopy. ,vol. 15, pp. 51- 67 ,(1965) , 10.1016/0022-2852(65)90187-6
J. W. T. Spinks, Gerhard Herzberg, Spectra of diatomic molecules Van Nostrand Reinhold. ,(1950)
K. Narahari Rao, C. Weldon Mathews, Molecular Spectroscopy: Modern Research msmr. ,(1972)
Takeshi Oka, Yonezo Morino, Inertia defect Part III. Inertia defect and planarity of four-atomic molecules Journal of Molecular Spectroscopy. ,vol. 11, pp. 349- 367 ,(1963) , 10.1016/0022-2852(63)90036-5
W. Hüttner, Mei‐Kuo Lo, W. H. Flygare, Molecular g‐Value Tensor, the Molecular Susceptibility Tensor, and the Sign of the Electric Dipole Moment in Formaldehyde Journal of Chemical Physics. ,vol. 48, pp. 1206- 1220 ,(1968) , 10.1063/1.1668783
W. H. Flygare, Molecular Magnetic Moments and Susceptibility in Formaldehyde Journal of Chemical Physics. ,vol. 42, pp. 1563- 1568 ,(1965) , 10.1063/1.1696162
Koichi Yamada, Toru Nakagawa, Kozo Kuchitsu, Yonezo Morino, Band contour analysis of the ν1 and ν5 fundamentals of formaldehyde Journal of Molecular Spectroscopy. ,vol. 38, pp. 70- 83 ,(1971) , 10.1016/0022-2852(71)90094-4
Kunitaka Kondo, Hiromasa Hirakawa, Akira Miyahara, Takeshi Oka, Koichi Shimoda, Microwave Zeeman Effect of Formaldehyde Journal of the Physical Society of Japan. ,vol. 15, pp. 303- 306 ,(1960) , 10.1143/JPSJ.15.303
Dudley R. Herschbach, Victor W. Laurie, Anharmonic Potential Constants and Their Dependence upon Bond Length Journal of Chemical Physics. ,vol. 35, pp. 458- 464 ,(1961) , 10.1063/1.1731952
Kojiro Takagi, Takeshi Oka, Millimeter Wave Spectrum of Formaldehyde Journal of the Physical Society of Japan. ,vol. 18, pp. 1174- 1180 ,(1963) , 10.1143/JPSJ.18.1174