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Chemical Bonding and Molecular Structure question

2019 · 9 Jan · Shift 1 · Q18
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Chemical Bonding and Molecular Structure question

2019 · 9 Jan · Shift 1 · Q18

JEE MainChemistryChemical Bonding and Molecular StructureMCQ+4 / −1
According to molecular orbital theory, which of the following is true with respect to Li2+Li_2^+Li2+​ and Li2Li_2Li2​ −-− ?
  1. A
    Li2+Li_2^ +Li2+​ is unstable and Li2−Li_2^ -Li2−​ is stable
  2. B
    Li2+Li_2^ +Li2+​ is stable and Li2−Li_2^ -Li2−​ unstable
  3. C
    Both are stable
  4. D
    Both are unstable
View written solutionFree

Correct answer: C

  1. Electronic configuration of Li atom

Lithium has atomic number 333.

Li=1s2 2s1Li = 1s^2\,2s^1Li=1s22s1

In molecular orbital theory, the core 1s1s1s electrons are usually ignored for bond order comparison, because they fill both bonding and antibonding MOs equally and cancel out.

So we focus on the valence 2s2s2s electrons.


  1. MO scheme for Li2Li_2Li2​ species

For lithium molecules, the relevant valence molecular orbitals are:

σ(2s), σ∗(2s)\sigma(2s),\ \sigma^*(2s)σ(2s), σ∗(2s)

Bond order is given by

Bond order=Nb−Na2\text{Bond order} = \frac{N_b - N_a}{2}Bond order=2Nb​−Na​​

where:

  • NbN_bNb​ = number of electrons in bonding MOs
  • NaN_aNa​ = number of electrons in antibonding MOs

A species is generally stable if bond order >0>0>0.


  1. For Li2+Li_2^+Li2+​

Each Li contributes one valence electron, so Li2Li_2Li2​ would have 222 valence electrons. Since it is Li2+Li_2^+Li2+​, one electron is removed.

Thus valence electrons in Li2+Li_2^+Li2+​:

2−1=12-1=12−1=1

Electronic configuration:

σ(2s)1\sigma(2s)^1σ(2s)1

So,

  • bonding electrons Nb=1N_b = 1Nb​=1
  • antibonding electrons Na=0N_a = 0Na​=0

Therefore,

Bond order=1−02=12\text{Bond order} = \frac{1-0}{2} = \frac{1}{2}Bond order=21−0​=21​

Since bond order is positive, Li2+Li_2^+Li2+​ is stable.


  1. For Li2−Li_2^-Li2−​

Li2Li_2Li2​ has 222 valence electrons, and one extra electron is added for Li2−Li_2^-Li2−​.

Thus valence electrons in Li2−Li_2^-Li2−​:

2+1=32+1=32+1=3

Electronic configuration:

σ(2s)2 σ∗(2s)1\sigma(2s)^2\,\sigma^*(2s)^1σ(2s)2σ∗(2s)1

So,

  • bonding electrons Nb=2N_b = 2Nb​=2
  • antibonding electrons Na=1N_a = 1Na​=1

Therefore,

Bond order=2−12=12\text{Bond order} = \frac{2-1}{2} = \frac{1}{2}Bond order=22−1​=21​

Since bond order is positive, Li2−Li_2^-Li2−​ is also stable.


  1. Evaluate options
  • A: Li2+Li_2^+Li2+​ unstable and Li2−Li_2^-Li2−​ stable →\rightarrow→ False
  • B: Li2+Li_2^+Li2+​ stable and Li2−Li_2^-Li2−​ unstable →\rightarrow→ False
  • C: Both are stable →\rightarrow→ True
  • D: Both are unstable →\rightarrow→ False

  1. Final answer

Both Li2+Li_2^+Li2+​ and Li2−Li_2^-Li2−​ have bond order 12\frac{1}{2}21​, so both are stable.

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