Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure

Milašinović, V.; Molčanov, K.; Krawczuk, A.; Bogdanov, N.E.; Zakharov, B.A.; Boldyreva, E.V.; Jelsch, C.; Kojić-Prodić, B.

doi:10.1107/S2052252521005273

Figure 6
Electron density at (3,−1) CPs between DDQ radicals for VT datasets as a function of temperature. Intra-dimer (contact A) CPs are shown as full symbols (experimental data) and open symbols (theoretical data), and inter-dimer CPs (contact B) as crosses (only experimental data, for clarity). Electron density in the intra-dimer (3,+3) cage CP is displayed as yellow circles. Trend lines drawn for intra-dimer CPs are intended as guides to the eye only (full lines: experimental, dashed lines: theoretical). Data from the high-resolution study (Milašinović et al., 2020