Frontier Molecular Orbital Theory Problem

In summary, the conversation discusses a problem involving drawing the HOMO of HO- and its interaction with the LUMO of H-Cl. The speaker is struggling with the concept and has attached pictures for reference. They also mention confusion with the book's answer and request help.
  • #1
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Summary: How do I draw the HOMO of HO-. The problem asks about the HOMO of HO- interacting in different ways with the LUMO of H-Cl. I cannot proceed with the question without figuring out how to draw the HOMO of HO-. I have attached pictures.

Hello All,
I have been struggling with this problem for some time now. My teacher and book has shown us how to draw MO's with just 1 set of valence electrons, so it is a sort of condensed MO diagram (just a heads up). I am confused on how my book is drawing the HOMO (highest occupied molecular orbital) for HO-.
I have attached my work for what I think the HOMO is, but the books answer is completely different and it has completely stopped me cold in my tracks from progressing.
Any help would be much appreciated.
 

Attachments

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  • #2
How many valence electrons does O- have?
 

1. What is Frontier Molecular Orbital (FMO) Theory?

Frontier Molecular Orbital (FMO) Theory is a theoretical approach used in chemistry to predict the reactivity and stability of molecules. It is based on the principles of molecular orbital theory, which describes the behavior of electrons in molecules.

2. How does FMO Theory work?

FMO Theory calculates the energy levels and spatial distributions of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of a molecule. These orbitals are known as the frontier orbitals, and their energies and shapes determine the reactivity and stability of the molecule.

3. What is the significance of the HOMO and LUMO in FMO Theory?

The HOMO and LUMO are important because they represent the electrons that are most likely to participate in chemical reactions. The HOMO is involved in nucleophilic reactions, while the LUMO is involved in electrophilic reactions. The energy difference between the HOMO and LUMO, known as the HOMO-LUMO gap, is a measure of the molecule's stability.

4. How is FMO Theory used in practical applications?

FMO Theory is used in a variety of fields, including organic chemistry, materials science, and drug design. It can be used to predict the reactivity and selectivity of chemical reactions, as well as the stability and properties of materials. It is also used in the design of new drugs, as the HOMO-LUMO gap can help determine the bioactivity of a molecule.

5. Are there any limitations to FMO Theory?

Like any theoretical approach, FMO Theory has its limitations. It is based on simplifying assumptions and does not always accurately predict experimental results. It also does not take into account the effects of solvation or environmental factors on the molecule. However, it is a useful tool in understanding and predicting the behavior of molecules in many different contexts.

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