Define moleuclar orbital. What are the salient features of Molecular orbital theory?
What is a linear combination of atomic orbitals (LCAO) far obtaining molecular orbitals ?
Molecular orbitals are formed by the combination of atomic orbitals. On combining two atomic orbitals, we get two molecular orbitals; one molecular orbital with lower energy is called bonding molecular orbital and its wave function is obtained by the linear addition of wave function and ΨA and ΨB of bonded atoms A and B.
ΨMO = ΨA + ΨB (Bonding MO)
The other molecular orbital with higher energy is called antibonding molecular orbital and its wave function is obtained by linear subtraction of wave functions of ΨA and Ψ B of atomic orbitals.
ΨMO = ΨA – ΨB (Antibonding MO).
Write the important conditions required for the linear combination of atomic orbitals to form molecular orbitals.
Assuming Z-axis as molecular (or internuclear) axis, label the molecular orbtials formed by the following combinations of atomic orbitals: (i) 1 s + 1 s (ii) 2py – 2pv (iii) 2Pz – 2pz.
Discuss the shapes of molecular orbitals formed by the combination of the following atomic orbitals. (lateral overlap)
(i)2px + 2py (ii) 2pz – 2pz