Absolute Configuration from Different Multifragmentation Pathways in Light-Induced Coulomb Explosion Imaging

Chemphyschem. 2016 Aug 18;17(16):2465-72. doi: 10.1002/cphc.201501118. Epub 2016 Jun 14.

Abstract

The absolute configuration of individual small molecules in the gas phase can be determined directly by light-induced Coulomb explosion imaging (CEI). Herein, this approach is demonstrated for ionization with a single X-ray photon from a synchrotron light source, leading to enhanced efficiency and faster fragmentation as compared to previous experiments with a femtosecond laser. In addition, it is shown that even incomplete fragmentation pathways of individual molecules from a racemic CHBrClF sample can give access to the absolute configuration in CEI. This leads to a significant increase of the applicability of the method as compared to the previously reported complete break-up into atomic ions and can pave the way for routine stereochemical analysis of larger chiral molecules by light-induced CEI.

Keywords: Coulomb explosion imaging; absolute configuration; chirality; cold target recoil ion momentum spectroscopy; synchrotron radiation.