XI_CHEM_NEW_CHAP-04: CHEMICAL BONDING & MOLECULAR STRUCTURE_MCQs

4.7 MOLECULAR ORBITAL THEORY

No MCQ & Choices No MCQ & Choices
1 Match the following Molecular Orbital (MO) theory 2 Match the following terms related to the formation
terms with their correct descriptions: of molecular orbitals with their correct definitions:
1. Molecular orbital A. A method involving 1. Constructive A. Reinforcement of
the combination of interference electron waves
atomic orbitals to form
MOs
2. Atomic orbital B. Has lower energy and 2. Destructive B. Reduction of electron
greater stability interference wave amplitude
3. Bonding orbital C. Influenced by only 3. Bonding molecular C. Energy level is higher
one nucleus orbital (σ) due to instability
4. Antibonding orbital D. Influenced by two or 4. Antibonding D. Energy level is lower,
more nuclei molecular orbital (σ*) greater stability
5. LCAO method E. Formed by subtraction 5. Pauli’s exclusion E. No two electrons can
of atomic wave functions principle occupy the same quantum
state simultaneously
3 Match the following molecular orbital 4 Match the following features with the correct
characteristics with the correct term: principles or definitions:
1. Polycentric nature A. Molecular orbital 1. Wave function A. Bonding molecular
summation orbital
2. Monocentric nature B. Atomic orbital 2. Principle for B. Aufbau principle
electron occupancy
3. Electrons occupy MOs C. Molecular orbital 3. Polycentric electron C. Atomic orbital
based on energy level formation influence
4. Electrons in molecule D. Pauli exclusion 4. Forms a molecular D. LCAO
act under multiple nuclei principle orbital
5. Follows Aufbau's E. Multinuclear influence 5. Ground state E. Molecular orbital theory
principle electron
5 Which of the following statements regarding 6 Which scenario illustrates the correct application of
Molecular Orbital Theory are CORRECT? (Select all molecular orbital theory in evaluating molecular
that apply) stability?
1. Electrons occupy molecular orbitals similarly to 1. Comparing atoms with equal atomic numbers.
atomic orbitals.
2. Antibonding orbitals are more stable than 2. Assessing a molecule with more bonding than
bonding orbitals. antibonding orbitals.
3. Molecular orbitals can be formed from atomic 3. Analyzing only ionic compounds.
orbitals of different energy levels.
4. The number of molecular orbitals is equal to the 4. Evaluating atomic orbital filling patterns.
number of atomic orbitals combined.
7 Identify the INCORRECT statements regarding 8 In molecular orbital theory, which method is
Molecular Orbital Theory: optimized to address the challenge of many-
electron systems?
1. Molecular orbitals are formed only from s-orbitals. 1. Exact solutions of the Schrödinger equation
2. Electrons in molecular orbitals are influenced by a 2. Linear Combination of Atomic Orbitals (LCAO)
single nucleus.
3. Bonding molecular orbitals are higher in energy 3. Classical mechanics
than antibonding orbitals.
4. The Aufbau principle does not apply to molecular 4. Molecular dynamics simulation
orbitals.

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 XI_CHEM_NEW_CHAP-04: CHEMICAL BONDING & MOLECULAR STRUCTURE_MCQs
4.7 MOLECULAR ORBITAL THEORY
9 Assertion: Molecular orbitals are influenced by the 10 Complete the following statement: The concept
number of nuclei in a molecule. Reasoning: that molecular orbitals are formed from atomic
Electrons in molecular orbitals are restricted to one orbitals is governed by the principle that
nucleus, similar to atomic orbitals. __________.
1. Both Assertion and Reason are correct. 1. atomic orbitals can be overlapping.
2. Assertion is correct, but Reason is incorrect. 2. electrons are influenced by a single nucleus.
3. Assertion is incorrect, but Reason is correct. 3. the number of atomic orbitals is less than
molecular orbitals.
4. Both Assertion and Reason are incorrect. 4. molecular orbitals are influenced by multiple
nuclei.
11 Given the following electron configurations for 12 If you were to design an experiment to test the
diatomic molecules: predictions of molecular orbital theory, which
1. N2: (σ2s)²(σ2s)²(σ2p)²(π2p)⁴<br> hypothesis would be most appropriate?
2. O2: (σ2s)²(σ2s)²(σ2p)²(π2p)⁴(σ*2p)²
Which statement correctly analyzes the stability
based on their configurations?
1. N2 is more stable than O2 due to fewer 1. All molecular orbitals will have the same energy.
antibonding electrons.
2. O2 is more stable due to more bonding orbitals. 2. Bonding orbitals will be more stable than
antibonding orbitals.
3. Both have equal stability. 3. Electrons will occupy higher energy states first.
4. Stability cannot be determined from 4. Atomic orbitals do not affect molecular stability.
configurations.
13 Which statement does BEST justify why molecular 14 In a case study involving a diatomic molecule,
orbitals are considered polycentric? which observation would best support the
predictions of molecular orbital theory?
1. They are influenced by two or more nuclei. 1. Electrons are distributed randomly in atomic
orbitals.
2. They only exist in one nucleus. 2. The molecular orbital diagram shows more
antibonding than bonding orbitals.
3. They do not follow the Aufbau principle. 3. The molecule exhibits paramagnetic behavior.
4. They represent electron distribution in atomic 4. Electrons occupy the lowest available energy
orbitals. states first.
15 When evaluating the stability of molecular orbitals, 16 Which of the following best illustrates a critical
which FACTOR is MOST CRUCIAL? difference between molecular orbital theory and
valence bond theory?
1. The number of antibonding orbitals present. 1. Both theories emphasize electron pairing.
2. The energy level of bonding orbitals. 2. Molecular orbitals consider multiple nuclei while
valence bond theory focuses on individual bonds.
3. The symmetry of atomic orbitals combined. 3. Both theories predict the same molecular
geometry.
4. The number of nuclei in the molecule. 4. Valence bond theory does not address orbital
overlaps.
17 Which of the following statements about molecular 18 Which statement best evaluates the relevance of
orbital theory is INCORRECT? molecular orbital theory in explaining the bonding
in diatomic molecules?
1. Electrons occupy molecular orbitals following the 1. It explains bonding well.
Pauli exclusion principle.
2. Antibonding orbitals are always lower in energy 2. It lacks accuracy.
than bonding orbitals.
3. Molecular orbitals can be derived from atomic 3. It is less relevant than atomic theory.
orbitals of similar energies.
4. Electrons in molecular orbitals are influenced by 4. It provides insights into electron behavior.
multiple nuclei.

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 XI_CHEM_NEW_CHAP-04: CHEMICAL BONDING & MOLECULAR STRUCTURE_MCQs
4.7 MOLECULAR ORBITAL THEORY
19 Compare the characteristics of molecular orbitals 20 What is a significant limitation of applying the
and atomic orbitals. Which of the following is a Schrödinger wave equation directly to molecular
DISTINCT DIFFERENCE? orbital theory?
1. Both can be described by wave functions. 1. It simplifies multi-electron systems.
2. Both types can contain two electrons. 2. It cannot be solved for systems with multiple
electrons.
3. Molecular orbitals can be influenced by multiple 3. It requires complex calculations.
nuclei.
4. Both follow Hund's rule for electron filling. 4. It neglects atomic properties.
21 Critique the use of Linear Combination of Atomic 22 If molecular orbitals could not be accurately
Orbitals (LCAO). Which of the following is a determined, what would be the most likely impact
significant WEAKNESS of this method? on our understanding of molecular structures?
1. It requires complex mathematical equations. 1. Simplified theories would emerge.
2. It does not account for electron-electron 2. Less accurate predictions would result.
interactions.
3. It is only applicable to hydrogen molecules. 3. Better techniques would be developed.
4. It produces highly accurate results for all 4. Atomic theory would regain prominence.
molecules.
23 Given the octahedral geometry of SF6, which 24 Given that bonding molecular orbitals are lower in
aspect of molecular orbitals is MOST RELEVANT for energy than antibonding orbitals, what is the
understanding its structure? energy configuration for a molecule with two
bonding and one antibonding electron?
1. The presence of multiple antibonding orbitals. 1. Two low energy, one high energy.
2. The linear combination of atomic orbitals. 2. All low energy.
3. The influence of surrounding nuclei on molecular 3. One low, two high energy.
orbitals.
4. The energy level distribution among atomic 4. No specific configuration.
orbitals.
25 Arrange the following steps in the process of 26 Evaluate the strengths of molecular orbital theory
forming molecular orbitals using LCAO. in contrast to Lewis structures. Which statement is
TRUE?
1. Identify atomic orbitals of combining atoms. [i] 1. MO theory accounts for electron delocalization.
2. Combine orbitals to form molecular orbitals. [iii] 2. Lewis structures only focus on bonding pairs.
3. Solve Schrödinger's wave equation for individual 3. Both are equally effective.
atoms. [ii]
4. Assign electrons to molecular orbitals according 4. MO theory is less precise.
to the Aufbau principle. [iv]
27 Which factor MOST DIRECTLY impacts the energy 28 What is one disadvantage of using molecular
stability of molecular orbitals? orbital theory compared to valence bond theory?
1. The number of atomic orbitals combined. 1. It does not explain covalent bonds.
2. The geometry of the molecule. 2. It is computationally intensive.
3. The electron distribution in orbitals. 3. It simplifies molecular geometries.
4. The presence of lone pairs on atoms. 4. It overlooks resonance.
29 If molecular orbital theory posits that bonding 30 How does molecular orbital theory illustrate
orbitals are more stable, which of the following systemic thinking in chemical bonding?
scenarios would likely result in decreased stability?
1. Increased electron repulsion in antibonding 1. By isolating individual atomic properties.
orbitals.
2. Addition of more bonding electrons. 2. By analyzing electron distribution across multiple
nuclei.
3. A higher number of nuclei influencing the orbital. 3. By focusing solely on bond lengths.
4. Filling molecular orbitals according to Hund's rule. 4. By neglecting molecular shapes.

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 XI_CHEM_NEW_CHAP-04: CHEMICAL BONDING & MOLECULAR STRUCTURE_MCQs
4.7 MOLECULAR ORBITAL THEORY
31 How does the concept of bonding versus 32 Which scenario presents a risk in using molecular
antibonding molecular orbitals contribute to the orbital theory for predicting molecular behavior?
overall stability of a molecule?
1. Bonding orbitals lower overall energy, 1. Misinterpreting bonding interactions.
contributing to stability.
2. Antibonding orbitals contribute positively to 2. Overgeneralizing the role of hybridization.
molecular energy.
3. Bonding orbitals do not interact with the nuclei. 3. Assuming stability based on energy levels.
4. Both types of orbitals equally influence stability. 4. Ignoring molecular geometry.
33 Analyze the process of filling molecular orbitals. 34 If molecular orbitals are formed by the
Which of the following accurately describes the combination of atomic orbitals, which conclusion
correct procedure? can be drawn about the relationship between
molecular and atomic orbitals?
1. Fill antibonding orbitals first before bonding. 1. They are completely independent.
2. Follow the Pauli exclusion principle and Hund's 2. They share properties.
rule.
3. Prioritize higher energy orbitals for filling. 3. Only molecular orbitals exist.
4. Only fill one electron per orbital at a time. 4. Atomic orbitals are irrelevant.
35 If two atomic orbitals combine to form one 36 Which of the following best identifies a potential
bonding and one antibonding orbital, what is the bias in interpreting molecular orbital energy
relationship between the number of atomic diagrams?
orbitals combined and the resulting molecular
orbitals?
1. The number of atomic orbitals determines the 1. Assuming all molecules have similar bonding
total energy. characteristics.
2. The number of molecular orbitals formed equals 2. Neglecting external influences on molecular
the number of atomic orbitals combined. energy.
3. Only bonding orbitals are formed from two 3. Overestimating electron repulsion.
atomic orbitals.
4. No antibonding orbitals are produced in the 4. Underestimating molecular symmetry.
process.
37 In terms of molecular stability, which combination 38 Given the evidence of bond lengths and energies,
of factors would likely yield the MOST STABLE what could be the most plausible explanation for
molecule? the observed properties of a particular diatomic
molecule?
1. High number of bonding orbitals and minimal 1. Weak bonding interactions.
antibonding orbitals.
2. Equal numbers of bonding and antibonding 2. Strong resonance effects.
orbitals.
3. Excessive antibonding orbitals with fewer bonding 3. Significant molecular strain.
orbitals.
4. A balanced distribution of orbitals. 4. Favorable molecular symmetry.
39 Assess the claim that "All electrons in a molecular 40 Identify the error in the following statement:
orbital contribute equally to bonding." Which of "Molecular orbitals are formed only by the
the following critiques this claim MOST effectively? addition of atomic wave functions."
1. Electrons in antibonding orbitals contribute 1. It ignores antibonding orbitals.
negatively to bonding.
2. Electrons fill molecular orbitals based on energy 2. It contradicts quantum mechanics.
levels.
3. Only bonding electrons affect stability. 3. It overlooks electron configurations.
4. All electrons have equal probability in molecular 4. It is based solely on hydrogen molecules.
orbitals.

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 XI_CHEM_NEW_CHAP-04: CHEMICAL BONDING & MOLECULAR STRUCTURE_MCQs
4.7 MOLECULAR ORBITAL THEORY
41 Based on molecular orbital theory, which of the 42 Which aspect of electron behavior differs most
following provides the BEST evidence for the non- significantly between atomic and molecular
bonding nature of certain orbitals? orbitals?
1. They remain filled without contributing to bond 1. Only atomic orbitals are monocentric.
strength.
2. They are formed only in homonuclear diatomic 2. Only molecular orbitals influence multiple nuclei.
molecules.
3. They exist at higher energy than bonding orbitals. 3. Electrons in atomic orbitals are influenced by a
single nucleus.
4. They influence molecular shape without forming 4. All of the above.
bonds.
43 Which of the following correctly classifies the types 44 Given two atomic orbitals with differing energies,
of molecular orbitals formed from atomic orbitals? what stability changes occur when they form
molecular orbitals?
1. Bonding and Nonbonding 1. Stability decreases overall.
2. Atomic and Molecular 2. Bonding orbital has lower energy and higher
stability.
3. Bonding and Antibonding 3. Antibonding orbital contributes the most stability.
4. Stable and Unstable 4. Energy remains the same.
45 How does the molecular orbital theory apply wave 46 What would occur if molecular orbitals combined
mechanics principles? without overlap?
1. It defines atomic orbitals only. 1. No bond formation due to no shared electron
density.
2. It uses Schrödinger wave equation solutions 2. Formation of a stable bond
directly.
3. It applies Linear Combination of Atomic Orbitals 3. Formation of only antibonding orbitals
(LCAO) principle.
4. It eliminates the need for wave functions. 4. Higher attraction between nuclei and electrons
47 When applying molecular orbital theory, what does 48 Which orbital type is characterized by a lateral
the stability of a molecule depend on? overlap of p-orbitals?
1. Number of electrons only 1. Sigma (σ)
2. Presence of only atomic orbitals 2. Delta (δ)
3. Energy levels of molecular orbitals 3. Pi (π)
4. Number of nuclear influences only 4. None of the above
49 In a hypothetical scenario where two atomic 50 Why is Pauli's exclusion principle important in
orbitals combine to form molecular orbitals, if one filling molecular orbitals?
molecular orbital is destabilizing, what can be
concluded about the system?
1. Only stable orbitals will form. 1. It prevents multiple electrons from occupying the
same orbital with identical spins.
2. The system will favor lower energy states. 2. It explains bonding stability.
3. Electrons will prefer the antibonding orbital. 3. It governs energy level filling.
4. The bonding orbital has the same energy as the 4. None of the above.
antibonding orbital.

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