An attempt has been made in order to unify the three types of solvatochromisms (negative, positive and inverted) of phenolate betaine dyes by a working model which describes them as particular cases of a general behavior. The model, based on the calculation (gas phase) of the chemical hardness of donor and acceptor fragments, was applied to 56 examples from the literature. As a result, the investigated compounds were grouped according to the sum of the hardnesses of their (non‐interacting) fragments, this sum being larger for a negative, intermediate for an inverted, and smaller for a positive solvatochromic behavior.
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Domínguez et al. (2009) studied this question.
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