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The order of aromaticity of benzene, thiophene, pyrrole, furan, and pyridine
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Mark Nealon
The order of aromaticity of benzene, thiophene, pyrrole, furan, and pyridine
The main criteria of aromaticity is resonant or delocalization energy.
It is difference between energy contained in bonds if they were localized like in Kekule's formula for benzene and actual energy.
For benzene if is about 150 kJ/mol.
The more this energy the more stable molecule is.
The approaches for calculating this energy may differ.
As for β-values mentioned in paper by @orthocresol it looks like it is Dewar's resonance energy per one π-electron calculated based on modified Hückel's MO method as mentioned in GSE article.
There is a table in this article with the same β-values:
The main criteria of aromaticity is resonant or delocalization energy.It is difference between energy contained in bonds if they were localized like in Kekule's formula for benzene and actual energy.For benzene if is about 150 kJ/mol.The more this energy the more stable molecule is.
The approaches for calculating this energy may differ.As for β-values mentioned in paper by @orthocresol it looks like it is Dewar's resonance energy per one π-electron calculated based on modified Hückel's MO method as mentioned in GSE article.
There is a table in this article with the same β-values:
The main criteria of aromaticity is resonant or delocalization energy. It is difference between energy contained in bonds if they were localized like in Kekule's formula for benzene and actual energy. For benzene if is about 150 kJ/mol. The more this energy the more stable molecule is.
The approaches for calculating this energy may differ. As for β-values mentioned in paper by @orthocresol it looks like it is Dewar's resonance energy per one π-electron calculated based on modified Hückel's MO method as mentioned in GSE article.
There is a table in this article with the same β-values:
In English it is
The main criteria of aromaticity is resonant or delocalization energy.It is difference between energy contained in bonds if they were localized like in Kekule's formula for benzene and actual energy.For benzene if is about 150 kJ/mol.The more this energy the more stable molecule is.
The approaches for calculating this energy may differ.As for β-values mentioned in paper by @orthocresol it looks like it is Dewar's resonance energy per one π-electron calculated based on modified Hückel's MO method as mentioned in GSE article.
There is a table in this article with the same β-values:
In English it is
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