Characterization and formation of C3O3H6 Isomers

Abstract

Some isomers type C3O3H6 have been proposed as detectable molecules in the gas phase interstellar medium1. Only one of them, dihydroxyacetone, has been recently detected2,3.

In this work4, applying a statistical method, we found 102 possible isomers obeying the C3O3H6 empirical formula. The most stable structure is the dimethylcarbonate. Only one, dihydroxyacetone, lying at 15000 cm-1, has been detected. The aim of this work is to localize and characterize the most probable isomers. For this purpose, we applied criteria based on reactivity and spectroscopic properties. We found that 41 isomers show relative energies lower than 15000 cm-1.