A new interpretation for the structure of the VN bands of ethylene
作者： R.J. Buenker , S.D. Peyerimhoff , H.L. Hsu
DOI: 10.1016/0009-2614(71)80533-X
关键词: Ethylene 、 Interpretation (model theory) 、 Symmetry (physics) 、 Molecule 、 Molecular physics 、 Photochemistry 、 Absorption (electromagnetic radiation) 、 Structure (category theory) 、 Chemistry
摘要: Abstract Potential surfaces for CC stretch and CH2 twisting of ethylene obtained by the combined SCF CI method lead to prediction that non-vertical transitions are responsible absorption maximum in VN bands broad diffuse nature spectrum this region could well be caused proximity two states same symmetry twisted molecule.
elsevier.com
sci-hub.se 参考文章(23)
John E. Douglas, B. S. Rabinovitch, F. S. Looney, Kinetics of the Thermal Cis‐Trans Isomerization of Dideuteroethylene Journal of Chemical Physics. ,vol. 23, pp. 315- 323 ,(1955) , 10.1063/1.1741959
Robert J. Buenker, Theoretical Study of the Rotational Barriers of Allene, Ethylene, and Related Systems Journal of Chemical Physics. ,vol. 48, pp. 1368- 1379 ,(1968) , 10.1063/1.1668804
S. Huzinaga, Variational Calculation of Ethylene The Journal of Chemical Physics. ,vol. 36, pp. 453- 457 ,(1962) , 10.1063/1.1732530
Louis Burnelle, Clotilde Litt, The distortions of the ethylene molecule in its low-lying excited states—A four-electron treatment Molecular Physics. ,vol. 9, pp. 433- 442 ,(1965) , 10.1080/00268976500100591
C. Reid, Observation of Discrete Bands in the Near Ultraviolet Absorption Spectrum of Liquid Ethylene The Journal of Chemical Physics. ,vol. 18, pp. 1299- 1300 ,(1950) , 10.1063/1.1747934
Assa Lifshitz, S. H. Bauer, E. L. Resler, Studies with a Single‐Pulse Shock Tube. I. The Cis—Trans Isomerization of Butene‐2 The Journal of Chemical Physics. ,vol. 38, pp. 2056- 2063 ,(1963) , 10.1063/1.1733933
Tai‐Ichi Shibuya, Vincent McKoy, Application of the RPA and Higher RPA to the V and T States of Ethylene Journal of Chemical Physics. ,vol. 54, pp. 1738- 1751 ,(1971) , 10.1063/1.1675081
P. G. Wilkinson, R. S. Mulliken, Far Ultraviolet Absorption Spectra of Ethylene and Ethylene‐d4 The Journal of Chemical Physics. ,vol. 23, pp. 1895- 1907 ,(1955) , 10.1063/1.1740601
T.H. Dunning, W.J. Hunt, W.A. Goddard, The theoretical description of the (ππ*) excited states of ethylene Chemical Physics Letters. ,vol. 4, pp. 147- 150 ,(1969) , 10.1016/0009-2614(69)80081-3
Harold Basch, Vincent McKoy, Interpretation of Open‐Shell SCF Calculations on the T and V States of Ethylene The Journal of Chemical Physics. ,vol. 53, pp. 1628- 1637 ,(1970) , 10.1063/1.1674235