SOLVATOCROMISMO E AS ESCALAS EMPÍRICAS DE POLARIDADE DO SOLVENTE: UMA REVISÃO

Abstract

SOLVATOCHROMISM AND THE EMPIRICAL SCALES OF SOLVENT POLARITY: A REVIEW. The term solvatochromism is used to describe the changes in the optical properties of a dye molecule by influence of the solvent characteristics. Solvatochromic shifts are governed by intermolecular interactions between solute-solvent that can be either electrostatic (non-specific interactions) or chemical (specific interactions). Due to the complexity of these interactions and absence of theoretical models that can explain the specific effects of solvent, different authors have introduced empirical parameters to building more reliable solvent polarity scales. Out of various polarity scales that have arisen from this need, those based on the effect of solvent polarity on the electronic excitation energy of indicator organic dyes are the most prevalent in literature. The use of empirical equations that correlate bathochromic (positive solvatochromism) and hypsochromic (negative solvatochromism) shifts of optical spectra of organic molecules with the polarity of solvent has become essential for understanding solute-solvent interactions. This review article presents main mathematical equations that use linear correlations between macroscopic and/or microscopic polarity functions of solvent with spectroscopic parameters of solute (dye) in construction of solvent polarity scales. In addition, main mathematical models that use solvatochromic shifts to estimate the dipole moment of ground and excited state are discussed.