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Q. Simple molecular orbital description?
we can give a simple molecular orbital description of bonding in B2H6 as follows. Each boron atom is sp3 hybrid giving four sp3 hybrid orbitals, one of which is vacant and the other three are singly filled. Two of the sp3 hybrid orbitals on each boron atom are used to form terminal B-H bonds with singly filled 1s orbital of hydrogen. Two BH, units are then brought together so that all six atoms are coplanar. Then one singly filled sp3 hybrid orbital on one B atom and one vacant sp3 hybrid orbital on the other B atom overlap with the singly filled 1s orbital on hydrogen atom to ford a bonding orbital shaped like a banana and covering all three atoms, viz, R, H and R. Similarly the other bonding orbital iz :!so formed.
This orbital binding three atoms contains only two electrons; the bonding between the bridging H atom and the B atom is thus only about half as strong as in the conventional two-centre two-electron terminal bonds. The B2H6 molecule contains two such three-centre electron pair bonds. Due to repulsion between the two H nuclei the delocalised orbitals are bent away from each other giving it the banana' shape.
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