Quick Search:
Prog. Theor. Phys. Vol. 16 No. 3 (1956) pp. 212-221
Free-Electron Model of Benzene
Gentaro Araki
Faculty of Engineering, Kyoto University, Yosida, Kyoto
(Received April 27, 1956)
Abstract:
Lower excited electronic levels of benzene are calculated by assuming π electrons to move freely in a ring whose perimeter is equal to that of the benzene molecule. The interaction between π electrons is assumed to be the long range part separated from the Coulomb interaction by the zero cut-off at 0.46 l of the ring coordinate where l is the distance between adjacent carbons in the benzene molecule. The configuration interaction with the adjacent levels is taken into account. All interaction integrals can easily be evaluated without any neglect. The calculated result agrees fairly well with experiment in spite of simpleness of the model.
URL :
http://ptp.ipap.jp/link?PTP/16/212/
DOI : 10.1143/PTP.16.212
References:
- G. Araki and T. Murai, Prog. Theor. Phys. 8 (1952), 639[PTP].
- G. Araki and H. Araki, Prog. Theor. Phys. 11 (1954), 20[PTP].
-
M. Goeppert-Mayer and A. L. Sklar, J. Chem. Phys. 6 (1938), 645[CrossRef].
C. C. J. Roothaan and R. G. Parr, J. Chem. Phys. 17 (1949), 1001[AIP Scitation].
R. G. Parr, D. P. Craig and I. G. Ross, J. Chem. Phys. 18 (1950), 1561[CrossRef].
K. Niira, J. Phys. Soc. Jpn. 8 (1953), 630[JPSJ].
- G. Araki, Prog. Theor. Phys. 16 (1956), 197[PTP].
-
J. R. Platt, J. Chem. Phys. 17 (1949), 484[CrossRef].
- E. U. Condon and G. H. Shortley, Theory of Atomic Spectra, p. 169 (1935).
- Landolt-Börnstein, Zahlenwert und Funktionen Bd. 1, Tl. 2 (1951).
-
H. Sponer, G. Nordheim, A. L. Skalr and E. Teller, J. Chem. Phys. 7 (1939), 207[CrossRef].
H. Sponer, J. Chem. Phys. 8 (1940), 705[CrossRef].
C. C. J. Roothaan and R. S. Mulliken, J. Chem. Phys. 16 (1948), 118[CrossRef].
-
J. W. M. DuMond and E. Richard Cohen, Rev. Mod. Phys. 25 (1953), 691[APS].
Citing Article(s) :
-
Progress of Theoretical Physics Vol. 16 No. 4 (1956) pp. 265-268
:
-
Free-Electron Ring Model of Polyacenes
-
Gentaro Araki
