Below is a reaction from organic chemistry. Based on your molecular orbital diagrams from questions 2 and 3 above relating to formaldehyde and cyanide, explain why these species react in the way they do. Use the terms highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO).
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Formaldehyde has a carbonyl group (C=O), which is polar due to the electronegativity difference between carbon and oxygen. This results in a partial positive charge on the carbon atom and a partial negative charge on the oxygen atom. Show more…
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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. b. What is the bond order for cyanide, and how many unpaired electrons does cyanide have? c. Which molecular orbital of $\mathrm{CN}^{-}$ would you predict to interact most strongly with a hydrogen 1 s orbital to form an $\mathrm{H}-\mathrm{C}$ bond in the reaction $\mathrm{CN}^{-}+\mathrm{H}^{+} \rightarrow \mathrm{HCN} ?$ Explain.
Describe the molecular orbital configurations of $\mathrm{C}_{2}^{+}, \mathrm{C}_{2},$ and $\mathrm{C}_{2}{ }^{2-} .$ What are the bond orders of these species? Arrange the three species by increasing bond length. Arrange the species by increasing bond enthalpy. Explain these arrangements of bond length and bond enthalpy.
a. Calculate and display the molecular orbitals of $\mathrm{NO}^{-}$ Show how the reaction of $\mathrm{NO}^{-}$ and $\mathrm{H}^{+}$ can be described as a HOMO-LUMO interaction. b. Calculate and display the molecular orbitals of HNO and HON. On the basis of your calculations, and your answer to part a, which structure is favored?
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