The Ring-Closing Reaction of Cyclopentadiene Probed with Ultrafast X-ray Scattering

Abstract

The dynamics of cyclopentadiene (CP) following optical excitation at 243 nm was investigated by time-resolved pump–probe X-ray scattering using 16.2 keV X-rays at the Linac Coherent Light Source (LCLS). We present the first ultrafast structural evidence that the reaction leads directly to the formation of bicyclo[2.1.0]pentene (BP), a strained molecule with three- and four-membered rings. The bicyclic compound decays via a thermal backreaction to the vibrationally hot CP with a time constant of 21 ± 3 ps. A minor channel leads to ring-opened structures on a subpicosecond time scale.

Publication
The Journal of Physical Chemistry A
Alice Green
Alice Green
Faculty, University of Edinburgh, UK
Thomas Wolf
Thomas Wolf
Staff Scientist

My research is focused on discovering structure-function relationships in ultrafast photochemistry to better understand and eventually control this type of reactions.