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Prog. Theor. Phys. Vol. 7 No. 4 (1952) pp. 345-352

[ Full Text PDF : FREE ACCESS (613K) ]

Electronic States of Ethylene Molecule

Tomokazu Murai

Department of Industrial Chemistry, Faculty of Engineering, Kyoto University

(Received February 20, 1952)

Abstract:

Electronic states of ethylene molecules are discussed according to the LCAO method of molecular orbitals. The molecule is regarded as a system which consists of two 2pπ-electrons in a field of a skeleton. It is assumed that effective charges for 2pπ orbitals are not the same as those for orbitals in the skeleton. Values of the effective charge are determined so as to minimize the energy of each electronic state. The result for excited electronic energy is compared with experiment, and their agreement is found though the observed values are very ambiguous. A relation between LCAO and valence bond methods is discussed.


URL : http://ptp.ipap.jp/link?PTP/7/345/
DOI : 10.1143/PTP.7.345

[ Full Text PDF : FREE ACCESS (613K) ] Citation:

References:

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Citing Article(s) :

  1. Progress of Theoretical Physics Vol. 8 No. 6 (1952) pp. 615-638 :
    Calculation of Heteronuclear Molecular Integrals
    Tomokazu Murai and Gentaro Araki
  2. Progress of Theoretical Physics Vol. 20 No. 1 (1958) pp. 15-34 :
    On the Orbital Approach to the Many-Electron Problem in Molecule
    Sigeru Huzinaga

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