Aromatic, Antiaromatic, or Nonaromatic Compounds

We talked about aromatic and antiaromatic compounds which are recognized based on the Hückel’s rule.

In short, the only way aromatic and antiaromatic compounds differ is the number of electrons they have in the conjugated system. All the other criteria – being cyclic, planar, and fully conjugated are a must for both categories:

 

 

Nonaromatic Compounds

There is also the third class of compounds we need to discuss: These are the nonaromatic or not aromatic compounds. As the name suggests, nonaromatic compounds have really nothing to do with the aromaticity (well, almost).

For example, is this compound aromatic?

 

You’d be like, how is that supposed to be aromatic?

And that is the idea, nonaromatic compounds are the ones not related to the aromatic and antiaromatic compounds:

 

 

In fact, if any of these factors; cyclic, planar, fully conjugated does not match – the compound is said to be nonaromatic.

Sometimes though, it may not be so obvious because some molecules look like they are aromatic or antiaromatic based on the factors mentioned above.

A good example is cyclooctatetraene which we have talked about earlier:

 

 

It looks like a perfect candidate to be named antiaromatic – cyclic, planar, fully conjugated, and 8 electrons (4n formula for antiaromatic compounds).

Remember, however, what we said about antiaromatic compounds – if the molecule has a way of avoiding being antiaromatic, it will do it.

So, how does cyclooctatetraene avoid being antiaromatic?

The answer is it adopts a geometry that is not planar (flat):

 

 

The double bonds are not in resonance as the p orbitals of adjacent double bonds cannot overlap. They are like separate alkenes and that is why cyclooctatetraene undergoes regular electrophilic addition reactions that alkenes do at even lower temperatures since getting rid of a double bond releases some of the strain associated with this geometry:

 

 

Another example is [10]-annulene which has 10 π electrons thus satisfying the Huckel’s 4n+2 rule.

 

However, it is nonaromatic because it cannot adopt a planar geometry. The problem is the lack of space for the inner hydrogens:

 

 

If the carbons were connected thus removing these hydrogens, we’d have naphthalene which is now planar, and it is aromatic:

 

 

Notice that a lot of compounds can be nonaromatic because they fall out of the aromatic-antiaromatic business as soon as only one of the criteria -cyclic, planar, fully conjugated is not met.

The antiaromatic, on the other hand, is very specific (and close to the aromatic) – it must meet all these criteria but instead of having 4n+2 electrons, it has 4n. And this makes antiaromatic compounds very rare because that specific combination is energetically unfavorable.

 

So, let’s put a little summary flowchart for identifying aromatic, antiaromatic, and nonaromatic compounds:

 

 

A great tool for distinguishing aromatic, antiaromatic, and nonaromatic compounds is the Frost circle which relies on having unpaired electrons in nonbonding orbitals for predicting antiaromatic nature. results in nonaromatic compounds. 

For example, azepine is oxepin are predicted to be antiaromatic by Huckel’s rule and unpaired electrons in the nonbonding orbitals:

 

 

However, the oxygen and nitrogen adopt an sp3 hybridization making them nonaromatic as otherwise, being sp2 would make one of its lone pairs part of a fully conjugated cyclic system of 8 electrons making the molecule antiaromatic.

For larger cycles, commonly referred to as annulenes, there is also a post you can read:

 

 

And lastly, keep in mind that being aromatic is not a requirement for stability. Not being aromatic does not necessarily make the molecule unstable. And even though there might be nonaromatic compounds that are particularly stable, as a general statement it would only relate to antiaromatic compounds.

Below are some examples to practice determining compounds as aromatic, nonaromatic, or antiaromatic.

Practice

1.

Identify the following molecules as Aromatic, Antiaromatic, or Nonaromatic. Consider the lone pairs of electrons.

 

a)
Answer

The six-membered ring is aromatic as it consists of 6 π electrons in a fully conjugated p orbital system.

The tricky part might be the lone pairs on the oxygen. There is no argument to suggest it but just to make the point about molecules adopting aromaticity at any cost, let’s mention that if we consider the oxygen to be sp2-hybridized, then one of the lone pairs will be conjugated with the ring and therefore making an 8-electron system, thus antiaromatic.

Remember this, whenever possible, the molecule will adopt any geometry and hybridization to avoid antiaromaticity and be aromatic. Therefore, the oxygen will not adopt a complete sp2– hybridization.

On the other hand, the acidity of the phenol is explained by the fact that the lone pairs on the oxygen are resonance stabilized that is why the pKa of the phenol is lower than other alcohols’. This suggests that the oxygen must be sp2-hybridized when the phenol is deprotonated. Just keep in mind that the hybridization is a theory that we use to explain certain things and even if we say it is sp2 or sp3, it does not mean that it 100% is.

b)
Answer

A molecule is aromatic if it is a cyclic, planar, completely conjugated compound with 4n + 2 π electrons.

It is antiaromatic if all of this is correct except it has 4n electrons,

Any deviation from these criteria makes it non-aromatic.

In this case, it is nonaromatic since the CH2 carbon is sp3-hybridized which makes the molecule non-planar and not fully conjugated.

If this carbon was not there, we’d have cyclopentadiene carbocation which is antiaromatic as it is planar, fully conjugated, and has 4n electrons:

 

 

On the other hand, the analogous seven-membered carbocation (tropylium ion) is aromatic as it has 4n + 2  electrons:

 

 

Remember, if it is not planar or not cyclic, it has nothing to do with aromaticity just like any other compound with double or triple bonds.

c)
Answer

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d)
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e)
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f)
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g)
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h)
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i)
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j)
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k)
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l)
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m)
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n)
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o)
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p)
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q)
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r)
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s)
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t)
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2.

Explain why Adenine, Cytosine, Thymine, and Guanine nucleobases of DNA are aromatic:

 

Answer

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3.

The synthesis of cyclopentadienone is challenging and a Diles-Alder adduct is obtained. Explain why it is difficult to synthesize cyclopentadienone and draw the structure of the Diles-Alder adduct.

Answer

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4.

Would you classify the following two molecules as aromatic or not? Explain your answer.

Answer

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5.

Compare the structure of pyrrole and pyridine. Which one do you think is more basic?

 

Answer

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6.

Propose a mechanism for the following synthesis and determine if the final product is aromatic or not:

Answer

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7.

We know that OH is a poor leaving group, however, the second step of this reaction occurs in the presence of a sodium ethoxide. How does this elimination occur? Propose a mechanism to explain your answer.

Answer

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8.

Despite having 20 π electrons, perylene is a common aromatic compound. Propose a mechanism for the following synthesis of perylene and explain why it is aromatic:

Answer

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4 thoughts on “Aromatic, Antiaromatic, or Nonaromatic Compounds”

  1. This is the best explanation of aromatic antiaromatic principle, and the practice problems are immensely helpful. I am amazed how you make it so detailed but succinct at the same time. Thank you so much.

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