Prog. Theor. Phys. Vol. 7 No. 4 (1952) pp. 345-352
Electronic States of Ethylene Molecule
Department of Industrial Chemistry, Faculty of Engineering, Kyoto University
(Received February 20, 1952)
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.
DOI : 10.1143/PTP.7.345
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Citing Article(s) :
Progress of Theoretical Physics Vol. 8 No. 6 (1952) pp. 615-638
Calculation of Heteronuclear Molecular Integrals
Tomokazu Murai and Gentaro Araki
Progress of Theoretical Physics Vol. 20 No. 1 (1958) pp. 15-34
On the Orbital Approach to the Many-Electron Problem in Molecule