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• W2011107192 abstract "A semiempirical SCF MO method including all the valence electrons in a molecule has been applied to Zeise’s salt, which is one of the most simple metal-olefin π-complexes. The electron-repulsion integrals are included explicitly in the present method. The results agree well with the available experimental data, indicating that the C-C bond order is equal to 1.545 and that the ethylene is tightly bound to platinum. An attempt to assign the observed bands to particular electron transitions has been made on the basis of a calculation of the transition energies and transition moments. We identify the band at 40700 cm−1 as the charge-transfer band corresponding to the electronic transition from ethylene to platinum. Several properties of Zeise’s salt are calculated, and much information on the bonding is obtained." @default.
• W2011107192 created "2016-06-24" @default.
• W2011107192 creator A5063076034 @default.
• W2011107192 date "1971-02-01" @default.
• W2011107192 modified "2023-09-25" @default.
• W2011107192 title "The Electronic Structure of Zeise’s Salt, [PtCl₃C₂H₄]⁻" @default.
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• W2011107192 doi "https://doi.org/10.1246/bcsj.44.348" @default.
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