Detailed theoretical investigation on ESIPT process of pigment yellow 101

Abstract

The ESIPT scheme among<bold>enol–enol</bold>,<bold>enol–keto</bold>and<bold>keto–keto</bold>: The equilibrium ESIPT process exists in the S₁state. And following with the radiative transition, the reversed GSIPT can also occur in the S₀state.