Photochemical Ring-Opening Reaction of 1,3-Cyclohexadiene: Identifying the True Reactive State

Resent pump-probe experiments performed at LDM/FERMI, have confirmed the fact that time-resolved photoemission spectra can be obtained with resolution high enough to precisely characterize ionization from electronic states even if they are weak and/or close in energy. O.Travnikova et al. JACS, 144, 2178 (2022).
The photochemically induced ring-opening isomerization reaction of 1,3-cyclohexadiene to 1,3,5-hexatriene is a textbook example of a pericyclic reaction and has been amply investigated with advanced spectroscopic techniques. The main open question has been the identification of the single reactive state which drives the process. Here, in a joint experimental and computational effort, we have demonstrate that the evolution of the excitation–deexcitation process is much more complex than that usually described.

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O.Travnikova, T. Piteša, A. Ponzi, M. Sapunar, R.J.Squibb, R. Richter, P. Finetti, M. Di Fraia, A. De Fanis, N. Mahne, M. Manfredda, V. Zhaunerchyk, T. Marchenko, R. Guillemin, L. Journel, K.C. Prince, C. Callegari, M. Simon, R. Feifel, P. Decleva, N. Došlić, M.N. Piancastelli. Journal of the American Chemical Society, Vol. 144 - 48, pp.21878-21886 (2022) DOI: 10.1021/jacs.2c06296
Last Updated on Wednesday, 28 December 2022 11:57