7

H2O – Linear or Angular ?

In constructing the MOs for H2 we were faced with a simple problem, because there were only two possible ways in which the two AOs could interact – either inphase or out-of-phase. When we move to a diatomic molecule which includes elements from the second row of the Periodic Table, e.g. O2, the problem becomes significantly more complex. We need to consider all the possible combinations of electron waves between the two atoms i.e. between electrons in the 1 s, 2 s and each of the three 2p orbitals. There are two criteria which are important in evaluating the allowed electron–electron interactions:

• only electrons of similar energy interact significantly.

This restriction has been commented on already with regard ...

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