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We are not trying to maximize overlap in this diagram, quite the opposite. You can imagine it rather as pushing negative charges, the negative ligands ions, unto the electrons on the central atom while looking at the orbital energies during this process. That is a repulsive interaction between two negative charges, that raises the energy of orbitals that ...


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Bonds are in general not maxima of the electron probability distribution. Local maxima are typically centered at the nuclei. This is due to the Coloumb potential. The electron can lower its potential energy by getting closer to the nuclei so they will always try to maximize their probability around the nuclei, where all the positively charged protons are ...


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