Rationalisation of the IR stretching frequencies of Brønsted acid centres in microporous solids

Abstract

The relative position of the O–H stretching frequency of Brønsted acid sites in microporous solids is found to be correlated with the gradient norm of the electrostatic potential and, unlike previous attempts to provide a unified picture of the vibrational properties in such solids, the correlation is found for all structural and compositional variants studied to date.