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Write the VB spatial wavefunction for the bonds in H2O using the basis of H 1s...

Write the VB spatial wavefunction for the bonds in H2O using the basis of H 1s and O 2p orbitals.

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Answer #1

If we consider that the molecule lies in the plane, then let the OH bond lie along the -axis and the OH bond lie along the axis. We would construct the following VB wave functions using the and orbitals of oxygen:

This would leave the and orbitals of oxygen left over for the two lone pairs on the oxygen. As the figure above suggests, these wave functions would lead to a 90 angle between the two OH bonds, which is clearly not correct. However, the qualitative trend is right. If we consider that the two hydrogens in HO have positive partial charges, then Coulomb repulsion between them can be invoked to justify the fact that the angle between the two bonds is larger than 90.

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