Fig. 3. ZCP-LIED retrieval of OCS⁺ structure.

a Reconstructed 2D map analogous to that of Fig. 2b. This 2D map was retrieved following the best fit between the experimental data (Fig. 2b) and the corresponding 2D map calculated using the independent atom model (IAM). b Molecular interference signal, I_M, extracted from experimental data (coloured lines) and the corresponding theoretically calculated distribution (black circled line) that best fits the measured data. A schematic of the reconstructed molecular structure is shown. The zero-crossing points (ZCPs) are indicated by magenta vertical solid lines and arrows. The four reconstructed ZCPs (magenta vertical lines; 5.21, 5.82, 6.37, 6.97 a.u.) from the equilibrium best-fit theoretical data that best match the ZCPs of the experimental data over the 17 scattering angles using the IAM, and correspond to a bent and asymmetrically stretched OCS⁺ structure. The equilibrium neutral ground-state OCS (grey vertical solid lines; 5.30, 6.03, 6.47, 6.84 a.u.) are shown for comparison. Experimental data are shown for θ = 0.0–4.0° in steps of Δθ = 0.25°.