CHM 401

MO diagrams for Polyatomic molecules

H₂O

BO = 2

Problem : experimentally, the σ orbitals are of different energy, as are the nb orbitals.

This problem can not be fixed predictably with the methods we have available

Using more sophisticated MO calculations gives:

B₂H₆ VBT Lewis Dot structure doesn't have enough electrons:

The B-H-B bonds are called electron deficient bonds (3-center, 2-electron bonds)

MO theory ; break it up into BH₃ fragments