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Use the MO model to determine which of the following has the smallest ionization energy: \(\mathrm{N}_{2}, \mathrm{O}_{2}, \mathrm{N}_{2}^{2-}, \mathrm{N}_{2}^{-}, \mathrm{O}_{2}^{+} .\) Explain your answer.

Short Answer

Expert verified
Among the molecules and ions, \(\mathrm{N}_2\) has the highest HOMO energy level (occupied by \(\pi_3\) orbitals) compared to \(\mathrm{O}_2\), \(\mathrm{N}_2^{2-}\), \(\mathrm{N}_2^{-}\), and \(\mathrm{O}_2^{+}\), all of which have \(\sigma_4\) as their HOMO. Therefore, \(\mathrm{N}_2\) has the smallest ionization energy.

Step by step solution

01

Determine the bond order and electron configuration of each molecule/ion

Using MO theory, we first determine the bond order and electron configuration of each molecule/ion to understand its electronic structure. Bond order can be determined with this formula: Bond Order = \(\frac{1}{2} \times (\mathrm{Number\,of\,electrons\,in\,bonding\,orbitals} - \mathrm{Number\,of\,electrons\,in\,antibonding\,orbitals})\) We will list the occupancy of bonding orbitals (BO) and antibonding orbitals (ABO) for \(\sigma\), \(\sigma^{*}\), \(\pi\) and \(\pi^{*}\). For \(\mathrm{N}_2\) (14 electrons): BO: \(\sigma_1\) (2), \(\sigma_2\) (2), \(\pi_3\) (4) ABO: \(\sigma^{*}_1\) (0), \(\sigma^{*}_2\) (0), \(\pi^{*}_3\) (0) For \(\mathrm{O}_2\) (16 electrons): BO: \(\sigma_1\) (2), \(\sigma_2\) (2), \(\pi_3\) (4), \(\sigma_4\) (2) ABO: \(\sigma^{*}_1\) (0), \(\sigma^{*}_2\) (0), \(\pi^{*}_3\) (2), \(\sigma^{*}_4\) (0) For \(\mathrm{N}_2^{2-}\) (14 + 2 = 16 electrons): BO: \(\sigma_1\) (2), \(\sigma_2\) (2), \(\pi_3\) (4), \(\sigma_4\) (2) ABO: \(\sigma^{*}_1\) (0), \(\sigma^{*}_2\) (0), \(\pi^{*}_3\) (2), \(\sigma^{*}_4\) (0) For \(\mathrm{N}_2^{-}\) (14 + 1 = 15 electrons): BO: \(\sigma_1\) (2), \(\sigma_2\) (2), \(\pi_3\) (4), \(\sigma_4\) (1) ABO: \(\sigma^{*}_1\) (0), \(\sigma^{*}_2\) (0), \(\pi^{*}_3\) (2), \(\sigma^{*}_4\) (0) For \(\mathrm{O}_2^{+}\) (16 - 1 = 15 electrons): BO: \(\sigma_1\) (2), \(\sigma_2\) (2), \(\pi_3\) (4), \(\sigma_4\) (1) ABO: \(\sigma^{*}_1\) (0), \(\sigma^{*}_2\) (0), \(\pi^{*}_3\) (2), \(\sigma^{*}_4\) (0)
02

Identify the highest occupied molecular orbitals

Now, we will identify the highest occupied molecular orbitals (HOMO) for each molecule/ion. HOMO for \(\mathrm{N}_2\): \(\pi_3\) HOMO for \(\mathrm{O}_2\): \(\sigma_4\) HOMO for \(\mathrm{N}_2^{2-}\): \(\sigma_4\) HOMO for \(\mathrm{N}_2^{-}\): \(\sigma_4\) HOMO for \(\mathrm{O}_2^{+}\): \(\sigma_4\)
03

Compare the HOMO energy levels and determine the smallest ionization energy

Now that we have identified the HOMO for each molecule/ion, we need to compare their energy levels. A molecule/ion with the highest HOMO energy level will have the smallest ionization energy. Based on the HOMO energy levels mentioned above, we can deduce the following ordering of HOMO energy levels: \(\pi_3 < \sigma_4\) We can now conclude that \(\mathrm{N}_2\) has the highest HOMO energy level. As a result, \(\mathrm{N}_2\) has the smallest ionization energy among the given molecules and ions.

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Most popular questions from this chapter

Describe the bonding in \(\mathrm{NO}^{+}, \mathrm{NO}^{-},\) and \(\mathrm{NO}\) using both the localized electron and molecular orbital models. Account for any discrepancies between the two models.

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Which charge(s) for the \(\mathrm{N}_{2}\) molecule would give a bond order of 2.5\(?\)

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