Theoretical Investigation into a Possibility of Formation of Propylene Oxide Homochirality in Space

The preferential synthesis or destruction of a single enantiomer by ultraviolet circularly polarized light (UV-CPL) has been proposed as a possible triggering mechanism for the extraterrestrial origin of homochirality. Herein, we investigate the photoabsorption property of propylene oxide (c-C₃H₆O) for UV-CPL in the Lyman-α region. Our calculations show that c-C₃H₆O was produced by CH₃⁺ and CH₃CH(OH)CH₃ or C₃H₇^• and O (triplet). The computed electronic circular dichroism spectra show that c-C₃H₆O and the intermediate (CH₃CH(OH)CH₂⁺) could absorb the UV-CPL originating from the Lyman-α emitter spectrum, suggesting that the photolysis of c-C₃H₆O or CH₃CH(OH)CH₂⁺ upon irradiation could induce chiral symmetry breakage.