Question: Use the 2p x and 2p z hydrogenic atomic orbitals to construct simple LCAO descriptions of 2p and 2p molecular orbitals. (a) Make a probability
Use the 2px and 2pz hydrogenic atomic orbitals to construct simple LCAO descriptions of 2pσ and 2pπ molecular orbitals.
(a) Make a probability density plot, and both surface and contour plots of the xz-plane amplitudes of the 2pzσ and 2pzσ* molecular orbitals.
(b) Make surface and contour plots of the xz-plane amplitudes of the 2pxπ and 2pxπ* molecular orbitals. Include plots for both an internuclear distance, R, of 10a0 and 3a0, where a0 = 52.9 pm. Interpret the graphs, and explain why this graphical information is useful.
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To construct the 2p and 2p molecular orbitals from the 2pz and 2px atomic orbitals we need to use the linear combination of atomic orbitals LCAO metho... View full answer
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