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This study provides a comprehensive investigation of the structural properties of cytosine monomers and dimers, highlighting how tautomer stability shifts under varying conditions. 

The color purple has long been used as a symbol of royalty and power in art, fashion, and architecture. This correlation with aristocracy can be traced back to the use of molluscan purple, a rich purple dye that is still presently more expensive than gold, by royalty as early as the 18th century BCE. While the molluscan purple dye is composed of a mixture of various proteins, its color is derived from indigotin, indirubin and their brominated derivatives, including the molecule, 6,6’-dibromoindigotin, an analogue of the indigotin dye which is also widely used in various modern industries. Both dyes can exhibit high stability, in particular against photodamage from UV and Visible radiation. In this study, we present the gas phase absorption spectrum and excited-state lifetimes of 6,6’-dibromoindigotin combined with static calculations of the excited and ground-state potential energy surfaces. The lifetime measurements reveal that molluscan purple has nearly the same relaxation rate as indigotin providing new insights in the possible relaxation mechanisms of the indigotin family of dye molecules.