When A and B are the wave functions of atomic orbitals, then is represented by :
- A + 2 B
- A - B
- A - 2 B
- A + B
Answer
(2) A - B
Solution
By LCAO, adding the two wave functions gives the bonding MO, = A + B (constructive overlap), and subtracting them gives the antibonding MO, = A - B (destructive overlap).
Two identical atomic orbitals contribute equally, so a coefficient 2 is not used; (A) and (C) are wrong and (D) is the bonding MO.
Answer: (2)