VALENCE-BOND STRUCTURE-FUNCTION AND BONDED FUNCTION .2. APPLICATION TO WATER MOLECULE

The bonded tableau unitary group approach (BTUGA) is used to calculate and analyze the structure of H2O, also the interactions between two bonding electron pairs, a bonding and a lone pairs as well as between two lone pairs are quantitatively discussed by using the bonded functions approaches. The results show that the electron density centers of the two hybrid orbital in the oxygen atom which form bonds with Is orbitals of the hydrogen atoms deviate from O-H bond axes. In fact, the oxygen atom bonds two hydrogen atoms with its p orbitals.