Solomons/SoloCh01
place.
- electron probability density ⇒ atomic orbitals (AOs)
1.11C. Molecular Orbitals
- AOs combine (overlap) to become molecular orbitals (MOs).
- The MOs that are formed encompass both nuclei, and, in them, the electrons can
move about both nuclei. - The MOs may contain a maximum of two spin-paired electrons.
- The number of MOs that result always equals the number of AOs that
combine.
- The MOs that are formed encompass both nuclei, and, in them, the electrons can
- Bonding molecular orbital (Ψmolec):
- AOs of the same phase sign overlap ⇒ leads to reinforcement of the wave
function ⇒ the value of is larger between the two nuclei ⇒ contains both
electrons in the lowest energy state, ground state
- AOs of the same phase sign overlap ⇒ leads to reinforcement of the wave
Figure 1.8 The overlapping of two hydrogen 1s atomic orbitals with the same
phase sign (indicated by their identical color) to form a bonding molecular orbital.
- Antibonding molecular orbital (ψmolec* ):
- AOs of opposite phase sign overlap ⇒ leads to interference of the wave
function in the region between the two nuclei ⇒ a node is produced ⇒ the
value of is smaller between the two nuclei ⇒ the highest energy state,
excited state ⇒ contains no electrons
- AOs of opposite phase sign overlap ⇒ leads to interference of the wave