The photoionization cross section of propargyl alcohol (PA) was acquired using the synchrotron multiplexed photoionization mass spectrometry technique at the Advanced Light Source (ALS) in the Lawrence Berkeley National Laboratory.  Signals appeared in the spectrum, however, higher than that of the parent molecule.  Comparing the signal at m/z 108 with known species, it has been found that the propargyl alcohol self-reacted upon exposure to light to form benzoquinones and furanones. Electronic structure calculations using the G3 composite model were performed to ascertain energetically favorable mechanisms by which these products were formed. These findings may provide clues about the mechanism by which propargyl alcohol polymerizes explosively upon exposure to sunlight.<br/>

Propargyl alcohol cyclization via synchrotron photoionization

255th National Meeting (2018)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.