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  • Problem Set 4 Molecular Orbitals

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    Allan D
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    1. The document provides molecular orbital diagrams and analyses for various oxygen and nitrogen species including O2-, O2, NO, NO+, NO-, and CN-. It compares bond orders, lengths, and strengths. 2. For question 1, it indicates that bond order decreases and bond length increases in the order O2 > O2- > O22-. 3. The molecular orbital diagram for NO shows the atomic orbitals interacting to form molecular orbitals, with a bond order of 2.5 and one unpaired electron. NO+ has the highest bond order and shortest bond.

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    1. The document provides molecular orbital diagrams and analyses for various oxygen and nitrogen species including O2-, O2, NO, NO+, NO-, and CN-. It compares bond orders, lengths, and strengths. 2. For question 1, it indicates that bond order decreases and bond length increases in the order O2 > O2- > O22-. 3. The molecular orbital diagram for NO shows the atomic orbitals interacting to form molecular orbitals, with a bond order of 2.5 and one unpaired electron. NO+ has the highest bond order and shortest bond.

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    © All Rights Reserved
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    48 views4 pages

    Problem Set 4 Molecular Orbitals

    Uploaded by

    Allan D
    1. The document provides molecular orbital diagrams and analyses for various oxygen and nitrogen species including O2-, O2, NO, NO+, NO-, and CN-. It compares bond orders, lengths, and strengths. 2. For question 1, it indicates that bond order decreases and bond length increases in the order O2 > O2- > O22-. 3. The molecular orbital diagram for NO shows the atomic orbitals interacting to form molecular orbitals, with a bond order of 2.5 and one unpaired electron. NO+ has the highest bond order and shortest bond.

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    © All Rights Reserved
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    of 4

    Allan S.

    Domencil
    MScChem
    Chemistry 752 – Advanced Inorganic Chemistry

    Problem Set No. 4. Molecular Orbital

    Answer all problems completely.

    1. Compare the bonding in O22-, O2-, and O2. Draw the Lewis structures and molecular orbital
    diagram. Differentiate then in terms of bond order, bond lengths, and bond strengths. (15 pts)
    Bond Order: O22- < O2- < O2 Bond strength: O22- < O2- < O2 Bond length: O22- > O2- > O2

    2.
    a. Prepare a molecular orbital energy-level diagram for NO, showing clearly how the atomic
    orbitals interact to form MOs. (5 pts)

    b. How does your diagram illustrate the difference in electronegativity between N and O? (5 pts)
    Since O is more electronegative compared to N, its orbital will be slightly lower.

    c. Predict the bond order and the number of unpaired electrons. (5 pts)
    Bond order is 2.5 with one unpaired electrons on the anti-bonding π2p*.

    d. NO+ and NO- are also known. Compare the bond orders of these ions with the bond order of
    NO. Which of the three would you predict to have the shortest bond? Why? (20 pts)
    -
    Refer to MO diagram of NO+ and NO .
    Bond orders:
    NO+ = 3, NO = 2.5, NO- = 2
    Higher bond order means higher bond strength therefore it will have the longest bond
    measurement. This means that the order in bond length will be NO+ < NO < NO-.

    3.

    a. Prepare a molecular orbital energy-level diagram for the cyanide ion. Use sketches to show
    clearly how the atomic orbitals interact to form MOs. (5 pts)
    b. What is the bond order for cyanide, and how many unpaired electrons does cyanide have?
    (5 pts)
    CN- has bond order of 3 with no unpaired electrons.

    c. Which molecular orbital of CN- would you predict to interact most strongly with a hydrogen
    1s orbital to form an H-C bond in the reaction CN- + H+ --- HCN? (5 pts)
    The σ2p orbital in the CN- will interact with the 1s orbital of H+ forming HCN

    4. The thiocyanate ion, SCN-, can form bonds to metals through either S or N. What is the
    likelihood of cyanide, CN-, forming bonds to metals through N as well as C? (5 pts)

    Since C and N have a small difference in atomic orbital energies, there will be balance
    between the two atoms. With this, there is a more possibility that bonding with a metals can
    be on both C and N.

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