NEETAceToday's NEET Daily

Molecular-orbital theory, LCAO, orbitals and bond order: NEET MCQs with answers

52 questions on this topic of Chemical Bonding and Molecular Structure (NEET 2027 syllabus). Here are 12; tap one to see its answer and explanation.

Practise Chemical Bonding and Molecular Structure freeAll Chemical Bonding and Molecular Structure questions

Free with a Google sign-in; NEET Daily needs no sign-in at all.

easy

1. What is the correct order of bond lengths among the following oxygen species?

  1. O₂⁺ > O₂ > O₂⁻ > O₂²⁻
  2. O₂²⁻ > O₂⁻ > O₂ > O₂⁺
  3. O₂ > O₂⁺ > O₂⁻ > O₂²⁻
  4. O₂²⁻ > O₂ > O₂⁻ > O₂⁺
Show answer and explanation

Answer: (B) O₂²⁻ > O₂⁻ > O₂ > O₂⁺

Bond order is inversely proportional to bond length. The calculated bond orders are: O₂⁺ = 2.5, O₂ = 2.0, O₂⁻ = 1.5, and O₂²⁻ = 1.0. Therefore, the bond length order is O₂²⁻ > O₂⁻ > O₂ > O₂⁺.

medium

2. Which of the following pairs of species is diamagnetic and has identical bond order?

  1. O₂ and B₂
  2. N₂²⁻ and O₂
  3. CO and NO
  4. C₂²⁻ and N₂
Show answer and explanation

Answer: (D) C₂²⁻ and N₂

Both C₂²⁻ (14 electrons) and N₂ (14 electrons) are isoelectronic. Their molecular orbital configuration has no unpaired electrons (diamagnetic) and both have a bond order of 3.0.

hard

3. Given below are two statements: Statement I: The sp-mixing in B₂, C₂, and N₂ shifts the σ2p_z molecular orbital to a higher energy level than the π2p_x and π2p_y molecular orbitals. Statement II: In O₂ and F₂, the energy difference between the 2s and 2p atomic orbitals is sufficiently small, resulting in pronounced sp-mixing. In light of the above statements, choose the correct answer:

  1. Statement I is true but Statement II is false.
  2. Both Statement I and Statement II are true.
  3. Statement I is false but Statement II is true.
  4. Both Statement I and Statement II are false.
Show answer and explanation

Answer: (A) Statement I is true but Statement II is false.

Statement I is true because sp-mixing pushes σ2p_z above the π2p subshell in B₂, C₂, and N₂. Statement II is false because across a period, increasing nuclear charge stabilizes 2s much more than 2p, making the 2s-2p energy gap large in O and F, which prevents significant sp-mixing.

medium

4. Consider the following species: O₂⁺, O₂, O₂⁻, and O₂²⁻. Which species has the highest dissociation energy and the maximum number of unpaired electrons respectively?

  1. O₂⁺ and O₂
  2. O₂ and O₂⁺
  3. O₂⁺ and O₂²⁻
  4. O₂⁻ and O₂
Show answer and explanation

Answer: (A) O₂⁺ and O₂

Bond dissociation energy increases with increasing bond order. O₂⁺ has the highest bond order (2.5) and thus the highest bond dissociation energy. O₂ has 2 unpaired electrons in degenerate π*2p orbitals, which is more than O₂⁺ (1), O₂⁻ (1), and O₂²⁻ (0).

easy

5. Which of the following species has the shortest bond length?

  1. N₂
  2. N₂⁻
  3. N₂²⁻
  4. N₂⁺
Show answer and explanation

Answer: (A) N₂

Bond length is inversely proportional to bond order. The bond orders are: N₂ = 3.0, N₂⁺ = 2.5, N₂⁻ = 2.5, and N₂²⁻ = 2.0. Since N₂ has the highest bond order among the given species, it possesses the shortest bond length.

hard

6. Arrange the following homonuclear species in increasing order of stability: Li₂, Be₂, B₂, C₂

  1. Be₂ < Li₂ < C₂ < B₂
  2. Be₂ < B₂ < Li₂ < C₂
  3. Li₂ < Be₂ < B₂ < C₂
  4. Be₂ < Li₂ < B₂ < C₂
Show answer and explanation

Answer: (D) Be₂ < Li₂ < B₂ < C₂

The calculated bond orders are: Be₂ has bond order 0 (does not exist/least stable); Li₂ has bond order 1 (σ2s bonding); B₂ has bond order 1 (two π bonds, slightly stronger/higher bond energy than Li₂); C₂ has bond order 2. Hence, stability increases as Be₂ < Li₂ < B₂ < C₂.

hard

7. What is the spin-only magnetic moment (in Bohr Magnetons, BM) of the superoxide ion (O₂⁻)?

  1. 2.83 BM
  2. 1.73 BM
  3. 0 BM
  4. 3.87 BM
Show answer and explanation

Answer: (B) 1.73 BM

The superoxide ion O₂⁻ has 17 electrons. Its electronic configuration is KK σ2s² σ*2s² σ2p_z² π2p_x² π2p_y² π*2p_x² π*2p_y¹. It contains n = 1 unpaired electron. The spin-only magnetic moment is μ = √(n(n + 2)) = √(1(3)) = √3 ≈ 1.73 BM.

medium

8. Consider the species N₂⁺, N₂, N₂⁻, and N₂²⁻. The correct order of their bond orders is:

  1. N₂²⁻ > N₂⁻ > N₂⁺ > N₂
  2. N₂ > N₂⁺ > N₂⁻ > N₂²⁻
  3. N₂ > N₂⁺ = N₂⁻ > N₂²⁻
  4. N₂⁺ > N₂ > N₂⁻ > N₂²⁻
Show answer and explanation

Answer: (C) N₂ > N₂⁺ = N₂⁻ > N₂²⁻

The number of electrons and bond orders are: N₂ (14 e⁻, BO = 3.0), N₂⁺ (13 e⁻, BO = 2.5), N₂⁻ (15 e⁻, BO = 2.5), and N₂²⁻ (16 e⁻, BO = 2.0). Hence, the order of bond orders is N₂ (3.0) > N₂⁺ (2.5) = N₂⁻ (2.5) > N₂²⁻ (2.0).

easy

9. Arrange the following diatomic molecules/ions in decreasing order of their bond energies: (I) O₂⁺ (II) O₂ (III) O₂⁻ (IV) O₂²⁻

  1. (II) > (I) > (III) > (IV)
  2. (IV) > (III) > (II) > (I)
  3. (I) > (III) > (II) > (IV)
  4. (I) > (II) > (III) > (IV)
Show answer and explanation

Answer: (D) (I) > (II) > (III) > (IV)

Bond energy is directly proportional to bond order. The bond orders are: O₂⁺ = 2.5, O₂ = 2.0, O₂⁻ = 1.5, and O₂²⁻ = 1.0. Therefore, the bond energy decreases in the order: O₂⁺ > O₂ > O₂⁻ > O₂²⁻, which corresponds to (I) > (II) > (III) > (IV).

medium

10. If the z-axis is taken as the internuclear axis, which of the following combinations of atomic orbitals results in a non-bonding (zero overlap) interaction?

  1. s + p_z
  2. p_z + p_z
  3. s + p_y
  4. p_x + p_x
Show answer and explanation

Answer: (C) s + p_y

When the z-axis is the internuclear axis, an s orbital centered on one atom has zero net overlap with a p_y (or p_x) orbital centered on the other atom because the positive overlap with the positive lobe is exactly canceled by the negative overlap with the negative lobe. Thus, s + p_y results in zero overlap (non-bonding interaction).

medium

11. Assuming the z-axis as the internuclear axis, which of the following atomic orbital overlaps leads to zero overlap (non-bonding interaction)?

  1. 2p_x and 2p_x
  2. 2s and 2p_z
  3. 2p_z and 2p_z
  4. 2s and 2p_x
Show answer and explanation

Answer: (D) 2s and 2p_x

When the z-axis is the internuclear axis, a 2s orbital overlaps equally with the positive and negative lobes of a 2p_x orbital. Because positive overlap cancels out negative overlap due to differences in symmetry, the net overlap is zero (non-bonding interaction).

medium

12. In the formation of N₂⁺ from N₂, the electron is removed from which molecular orbital, and how does the bond length change?

  1. Removed from σ2p_z; bond length increases
  2. Removed from π*2p_x; bond length decreases
  3. Removed from σ*2s; bond length increases
  4. Removed from π2p_x; bond length decreases
Show answer and explanation

Answer: (A) Removed from σ2p_z; bond length increases

For N₂ (14 electrons), the HOMO is σ2p_z. Ionization to form N₂⁺ removes an electron from this bonding σ2p_z orbital, reducing the bond order from 3.0 to 2.5. A decrease in bond order leads to an increase in bond length.

Keep going with Chemical Bonding and Molecular Structure. All 526 questions with instant answers, your mistakes saved for revision and your accuracy by topic.

Other topics in Chemical Bonding and Molecular Structure