Calculation of the Average Structure of Ethylene
1.Y. Morino, K. Kuchitsu, and T. Oka, J. Chem. Phys. 36, 1108 (1962).
2.T. Oka, J. Phys. Soc. Japan 15, 2276 (1960).
3.M. Toyama, T. Oka, and Y. Morino, J. Mol. Spectry. 13, 193 (1964).
4.D. R. Herschbach and V. W. Laurie, J. Chem. Phys. 37, 1668 (1962).
5.V. W. Laurie and D. R. Herschbach, J. Chem. Phys. 37, 1687 (1962).
6.L. S. Bartell, J. Chem. Phys. 23, 1219 (1955).
7.Y. Morino and E. Hirota, J. Chem. Phys. 23, 737 (1955).
8.E. B. Wilson, J. C. Decius, and P. C. Cross, Molecular Vibrations (McGraw‐Hill Book Company, Inc., New York, 1955).
9.K. Kuchitsu, T. Oka, and Y. Morino, J. Mol. Spectry. 15, 51 (1965).
10.In addition to the use of the Vibrational frequencies and the force constants listed in the tables of Ref. 9, the whole calculations of the present work have been repeated by using the frequencies and the force constants of determined by Smith and Mills,11 and those of and by Cyvin and Cyvin.12 The results are in essential agreement with those based on the approximate normal and fundamental frequencies used in Ref. 9. Calculations of the inertia defects have given according to the data of Ref. 11, and according to those of Ref. 12, which are also very similar to the inertia defects reported in Ref. 9.
11.W. L. Smith and I. M. Mills, J. Chem. Phys. 40, 2095 (1964).
12.B. N. Cyvin and S. J. Cyvin, Acta Chem. Scand. 17, 1831 (1963).
13.M. Iwasaki and K. Hedberg, J. Chem. Phys. 36, 2961 (1962).
14.K. Kuchitsu and L. S. Bartell, J. Chem. Phys. 35, 1945 (1961).
15.L. S. Bartell, J. Chem. Phys. 42, 1681 (1965).
16.L. S. Bartell, E. A. Roth, C. D. Hollowell, K. Kuchitsu, and J. E. Young, J. Chem. Phys. 42, 2683 (1965).
17.H. H. Nielsen, Rev. Mod. Phys. 23, 90 (1951).
18.T. Oka and Y. Morino, J. Mol. Spectry. 6, 472 (1961).
19.T. Oka and Y. Morino, J. Mol. Spectry. 11, 349 (1963).
20.The author is grateful to T. Oka for his helpful suggestions on these electronic corrections to the moments of inertia.
21.H. C. Allen, Jr. and E. K. Plyler, J. Am. Chem. Soc. 80, 2673 (1958).
22.J. M. Dowling and B. P. Stoicheff, Can. J. Phys. 37, 703 (1959).
23.D. W. J. Cruickshank, Acta Cryst. 9, 757 (1956).
24.K. Takagi and T. Oka, J. Phys. Soc. Japan 18, 1174 (1963).
25.The structures of and are calculated by a method similar to that used in the present study by using the normal frequencies and the rotational constants observed by Benedict et al.26 The following results are obtained: and These values agree essentially with the 〈r〉 and 〈θ〉 values of Ref. 5, when the latter values are revised according to the average moments of inertia listed in Table III of that reference.
26.W. S. Benedict, N. Gailar, and E. K. Plyler, J. Chem. Phys. 24, 1139 (1956).
27.The structures of and are calculated from the rotational constants given by W. S. Bendict and E. K. Plyler, Can. J. Phys. 35, 1235 (1957);
27.K. Kuchitsu (to be published).
28.T. Oka and Y. Morino, J. Mol. Spectry. 8, 300 (1960).
29.Scharpen and Laurie have recently made calculations of the Coriolis coupling constants, the inertia defect, the average moments of inertia, and the spectroscopic average structure of ethylene according to the theory of Herschbach and Laurie4,5 (L. H. Scharpen and V. W. Laurie, private communication). Their results [the inertia defect and the spectroscopic average structure: on the assumption that ] are in essential agreement with the corresponding values given in the preceding9 and the present papers.
30.L. S. Bartell, K. Kuchitsu, and R. J. deNeui, J. Chem. Phys. 35, 1211 (1961);
30.K. Kuchitsu and L. S. Bartell, J. Chem. Phys. 36, 2470 (1962).
31.R. A. Olafson, M. A. Thomas, and H. L. Welsh, Can. J. Phys. 39, 419 (1961).
32.E. K. Plyler and E. D. Tidwell, J. Opt. Soc. Am. 53, 589 (1963);
32.W. J. Lafferty and R. J. Thibault, J. Mol. Spectry. 14, 79 (1964).
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Article metrics loading...
Full text loading...
Most read this month
Most cited this month