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Functional groups

Functional groups are sets of atoms whose presence in a molecule confers to it chemical properties that are characteristic of the group.  The atoms  that compose the functional group  have a deformation pattern that can be easily recognized, with slight variations caused by the molecular environment. This is illustrated in the following pictures, where the accumulated deformation of atoms in the -COOH group of formic and benzoic acids and in the -OH group of methanol and phenol have been drawn for contour values of ±0.05 au.


-COOH group

Formic acid Contour 0.05    Benzoic acid Contour 0.05

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-OH group

  

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