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 ?
Give the points of difference betweeen bonding and antibonding molecular orbitals.
Differences between bonding and antibonding orbitals.
Bonding molecular orbital | Antibonding molecular orbital |
1. It is formed by the addition overlap of atomic orbitals. Ψ MO = ΨA + ΨB |
1. It is formed by the subtraction overlap of atomic orbitals. Ψ MO = ΨA – ΨB |
2. It possesses lower energy than the atomic orbitals from which it is formed. | 2. It possesses higher energy than the atomic orbitals from which it is formed. |
3. There is a greater electron density between the nuclei of bonded atoms. | 3. There is less electron density between the nuclei of interacting atoms. |
4. Every electron in a bonding molecular orbital contributes to the attraction between two atoms. | 4. Every electron in an antibonding molecular orbital contributes to repulsion between two atoms. |
5. These are designed as σ, δ etc. | 5. These are designated as etc. |
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