Extended Data Fig. 8: Charge-state distributions of carbon atoms.
From: X-ray multiphoton-induced Coulomb explosion images complex single molecules

Charge-state distributions of carbon atoms, for different coincidence channels of 2-iodopyridine. The experimental ion yields (A)–(C) are obtained by fitting a 2D Gaussian to each peak in the respective Newton plots (see Fig. 3). The experimental error bars represent an estimate of the systematic error introduced in the fitting (Methods). Note that the experiment is insensitive to neutral fragments. Theory results (D)–(I) are shown with the statistical error derived from the finite number of trajectories. The fluences used in the calculations are 0.75 × 1011 (D), (G), 1.80 × 1011 (E), (H), and 2.30 × 1011 photons/μm2 (F), (I). Panels (D)–(F) show the results obtained from our initial model, i.e., when all orbitals of iodine with vacancies were considered. In a model refinement, electron transfer into the iodine M– and N–shells was excluded (G)–(I).