molecular orbital theory - orbital output data for methane
Автор: Erland Stevens
Загружено: 2019-01-29
Просмотров: 557
The orbital output data for methane is a complex table of numbers. The data consists of eight rows - one row for each AO used in the model. The data consists of eight columns - one column for each MO generated in the model. The numbers in the rows and columns represent the relative importance of each AO in the construction of each MO. Each AO can be used in multiple MOs, but the sum of the squares of the AO coefficients must equal 1 (no more, no less). The eight MOs are listed in order from lowest energy (MO 1) to highest energy (MO 8). The eight valence electrons fill MOs 1 through 4 (bonding orbitals). MOs 5 to 8 are vacant. Of MOs 1 to 4, MO 1 has one energy, and MOs 2 to 4 are another energy. Note that the two different possible energies of the valance electrons matches the experimental observation that the valence electons in methane have two different ionization energies.
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