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. 2014 Nov 26;5:5589. doi: 10.1038/ncomms6589

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(a) Scattering patterns, and (b) total electron densities during the Cope rearrangement of semibullvalene via tunnelling. (c) Scattering patterns, and (d) total electron densities for the reaction over the barrier. The time-resolved scattering patterns are in the Q_y−Q_z plane (Q_x=0) and the corresponding total electron densities are in the y−z plane (integrated along x-direction) at pump-probe delay times 0, T/4, T/2, 3T/4 and T. The time-resolved patterns are calculated until |Q_max|=10 Å⁻¹, which corresponds to an incident X-ray pulse with 20 keV photon energy and the detection of photons scattered up to 60°. The intensities of the patterns are shown in units of the differential scattering probability, dP_e/dΩ, in both cases with . The electron density is given in units of number of electrons per Å².

Inline graphic — (a) Scattering patterns, and (b) total electron densities during the Cope rearrangement of semibullvalene via tunnelling. (c) Scattering patterns, and (d) total electron densities for the reaction over the barrier. The time-resolved scattering patterns are in the Q_y−Q_z plane (Q_x=0) and the corresponding total electron densities are in the y−z plane (integrated along x-direction) at pump-probe delay times 0, T/4, T/2, 3T/4 and T. The time-resolved patterns are calculated until |Q_max|=10 Å⁻¹, which corresponds to an incident X-ray pulse with 20 keV photon energy and the detection of photons scattered up to 60°. The intensities of the patterns are shown in units of the differential scattering probability, dP_e/dΩ, in both cases with . The electron density is given in units of number of electrons per Å².