Solomons/SoloCh01
Figure 1.9 The overlapping of two hydrogen 1s atomic orbitals with opposite phase
signs (indicated by their different colors) to form an antibonding
molecular orbital.
- LCAO (linear combination of atomic orbitals):
- MO:
- Relative energy of an electron in the bonding MO of the hydrogen molecule is
substantially less than its energy in a Ψ1s AO. - Relative energy of an electron in the antibonding MO of the hydrogen molecule
is substantially greater than its energy in a Ψ1s AO.
- Relative energy of an electron in the bonding MO of the hydrogen molecule is
1.11D. Energy Diagram for the Hydrogen Molecule
Figure 1.10 Energy diagram for the hydrogen molecule. Combination of two
atomic orbitals, Ψ1s, gives two molecular orbitals, Ψmolec and Ψ*molec. The energy of
Ψmolec is lower than that of the separate atomic orbitals, and in the lowest electronic
state of molecular hydrogen it contains both electrons.