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Linear Combination of Atomic Orbitals

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Question

Write the important conditions required for the linear combination of atomic orbitals to form molecular orbitals.

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Solution

The given conditions should be satisfied by atomic orbitals to form molecular orbitals:

(a) The combining atomic orbitals must have the same or nearly the same energy. This means that in a homonuclear molecule, the 1s-atomic orbital of an atom can combine with the 1s-atomic orbital of another atom, and not with the 2s-orbital.

(b) The combining atomic orbitals must have proper orientations to ensure that the overlap is maximum.

(c) The extent of overlapping should be large.

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Write the important conditions required for the linear combination of atomic orbitals to form molecular orbitals.

Q. The conditions for the combination of atomic orbitals to form molecular orbitals are stated below. Mark the incorrect condition mentioned here.

Q. According to MOT, two atomic orbitals overlap resulting in the formation of molecular orbitals. Number of atomic orbitals overlapping together is equal to the molecular orbital formed. The two atomic orbital thus formed by LCAO (linear combination of atomic orbital) in the same phase or in the different phase are known as bonding and antibonding molecular orbitals respectively. The energy of bonding molecular orbital is lower than that of the pure atomic orbital by an amount

Δ

. This known as the stabilization energy. The energy of antibonding molecular orbital is increased by

Δ^{'}

(destabilization energy).
Which of the following statement(s) is(are) true:

Q. According to MOT (Molecular Orbital Theory), the molecular orbitals are formed by mixing of atomic orbitals through LCAO (linear combination of atomic orbitals). The correct statement (s) about molecular orbitals is/are Statement (a) : bonding molecular orbitals are formed by addition of wave-functions of atomic orbitals of same phase Statement (b) : anti-bonding molecular orbitals do not take part in bond formation because they belong to inner shells Statement (d) : anti-bonding molecular orbitals provide stability to molecules while bonding molecular orbitals make the molecules unstable.

Q. Assuming Z-axis as molecular axis, the molecular orbitals formed by the combination of atomic orbitals is labeled as

2 p_{x} + 2 p_{x}

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